SCHEMBL3032133

SCHEMBL3032133

O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.34
CA1 P00915 7/20 0.34
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
THRB P10828 1/20 0.32
CA9 Q16790 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12476413 1.00 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL12477390 1.00 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL12476991 1.00 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL9141595 1.00 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL2487801 0.98 CA2 (0.33) CA2CA1MMP1MMP2MMP9
SCHEMBL2434048 0.91 CA2 (0.34) CA2CA1CA9
SCHEMBL12643973 0.91 CA2 (0.36) CA2CA1CA9
SCHEMBL7560545 0.85
SCHEMBL7558631 0.85
SCHEMBL7559923 0.83 CA1 (0.31) CA2CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267272-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2022-08-25 US disclosed
WO-2020241632-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT 日本曹達株式会社 2020-12-03 WO disclosed
US-8901170-B2 Malononitrile compounds BASF SE (DE) 2014-12-02 US disclosed
US-20130296436-A1 AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED 2013-11-07 US disclosed
WO-2012090969-A1 AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 WO disclosed
US-20100215777-A1 Malononitrile Compounds BASF SE (DE) 2010-08-26 US disclosed
EP-2044008-A1 MALONONITRILE COMPOUNDS BASF SE (DE) 2009-04-08 EP disclosed
WO-2007147888-A1 MALONONITRILE COMPOUNDS BASF SE (DE) 2007-12-27 WO disclosed
EP-0638112-B1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING & MFG (US) 2002-08-07 EP disclosed
EP-0792255-B1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING & MFG (US) 2001-02-28 EP disclosed
US-5482650-A Liquid crystal compounds having perfluoroether terminal portions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-09 US disclosed
US-5437812-A Achiral and having low-temperature smectic mesophases or or latent smectic mesophases; used in mixtures with fluorinated liquid crystals; low birefringence and viscosity; high speed switches; stability MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-01 US disclosed
US-5399701-A Polyfluoroalkyloxypyridinecarboxylic acid and -carboxaldehyde intermediates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed
EP-0638112-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-15 EP disclosed
EP-0255236-B1 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING & MFG (US) 1994-05-04 EP disclosed
US-5262082-A Ferroelectric liquid crystal compounds having perfluoroether terminal portions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-16 US disclosed
WO-1993022396-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-11 WO disclosed
US-5254747-A Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-19 US disclosed
US-4886619-A TILTED OR LATENT TILTED MESOPHASES; BLENDS; FERROELECTRIC DEVICE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-12-12 US disclosed
EP-0255236-A2 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-02-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130296436-A1 AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL C5, ATL3, C1S CA2 4006/4885CA1 3871/4885MMP1 4194/4885
US-20220267272-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT PLPBP, PRDX6, PRDX1 CA2 368/4885CA1 3115/4885MMP1 2885/4885
US-20100215777-A1 Malononitrile Compounds MAL2, DDT, ACHE CA2 2604/4885CA1 1583/4885MMP1 795/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.