SCHEMBL1335485

SCHEMBL1335485

CCCCN1CCN(CCCC)C1(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GLB1 P16278 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 2/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30
S1PR4 O95977 1/20 0.30

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
SCHEMBL4602729 0.84
SCHEMBL24936323 0.69 MEN1 (0.33) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL25124010 0.69 GLB1 (0.31) GLB1S1PR1S1PR3S1PR5S1PR4
SCHEMBL11049865 0.68 MEN1 (0.31) MEN1KMT2AGLB1S1PR1S1PR3
SCHEMBL16263876 0.67 S1PR1 (0.47) S1PR1S1PR3S1PR5GNAI3GNAO1
SCHEMBL5585759 0.65 S1PR1 (0.32) S1PR1S1PR3S1PR5S1PR4
SCHEMBL27360376 0.65 S1PR1 (0.46) S1PR1S1PR3S1PR5GNAI3GNAO1
SCHEMBL5585715 0.65 S1PR1 (0.32) S1PR1S1PR3S1PR5S1PR4
SCHEMBL16508917 0.65 NOS3 (0.40) GLB1S1PR1S1PR3S1PR5GNAI3
SCHEMBL23251421 0.64 S1PR1 (0.31) S1PR1S1PR3S1PR5S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895991-B1 Halogenating agent MITSUI CHEMICALS INC (JP) 2008-07-09 EP claimed
US-20030004348-A1 Halogenating agents SONODA HIROSHI (JP) 2003-01-02 US claimed
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds SONODA HIROSHI (JP) 2002-04-11 US claimed
US-6329529-B1 FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL MITSUI CHEMICALS, INC. (JP) 2001-12-11 US claimed
EP-0895991-A2 Halogenating agent Mitsui Chemicals, Inc. (JP) 1999-02-10 EP claimed
CN-102668232-B Lithium-sulfur battery SOLVAY FLUOR GMBH (DE) 2016-05-04 CN disclosed
CN-103636052-A Lithium air battery cell SOLVAY 2014-03-12 CN disclosed
US-20140045078-A1 LITHIUM AIR BATTERY CELL SOLVAY SA (BE) 2014-02-13 US disclosed
CN-102668232-A Lithium-sulfur battery SOLVAY FLUOR GMBH 2012-09-12 CN disclosed
US-8203003-B2 4-fluoropyrrolidine-2-carbonyl fluoride compounds and their preparative methods UBE INDUSTRIES, LTD. (JP) 2012-06-19 US disclosed
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 US disclosed
WO-2010081014-A1 NOVEL 4-FLUOROPYRROLIDINE-2-CARBONYL FLUORIDE COMPOUNDS AND THEIR PREPARATIVE METHODS IM&T RESEARCH, INC. (US) 2010-07-15 WO disclosed
US-6329529-B1 FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL MITSUI CHEMICALS, INC. (JP) 2001-12-11 US disclosed
EP-1138633-A1 PROCESS FOR PRODUCING FLUORINATED SILICON COMPOUND Mitsui Chemicals, Inc. (JP) 2001-10-04 EP disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
US-6127583-A Process for preparing acetylene derivative from a ketone compound MITSUI CHEMICALS, INC. (JP) 2000-10-03 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
JP-2000038370-A NOVEL FLUORINATING AGENT, ITS PRODUCTION AND USE MITSUI CHEMICALS INC 2000-02-08 JP disclosed
EP-0949226-A1 Process for the preparation of acetylene derivatives Mitsui Chemicals, Inc. (JP) 1999-10-13 EP disclosed
EP-0895991-A2 Halogenating agent Mitsui Chemicals, Inc. (JP) 1999-02-10 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-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods PFAS, AFF4, PAICS MEN1 2120/4885KMT2A 1635/4885GLB1 454/4885
US-20030004348-A1 Halogenating agents AFF1, NAF1, AFF2 MEN1 1402/4885KMT2A 1834/4885GLB1 621/4885
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds AFF1, NAF1, CYP2F1 MEN1 1242/4885KMT2A 2122/4885GLB1 838/4885

“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.