SCHEMBL602858

SCHEMBL602858

Oc1cc(C(F)(F)C(F)(F)F)ncn1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38

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
SCHEMBL601141 0.88 CA2 (0.35) CA2CHKA
SCHEMBL18590 0.82 CA2 (0.56) CA2CHKA
SCHEMBL8167991 0.80 CA2 (0.39) CA2CHKA
SCHEMBL8175868 0.78 CA2 (0.38) CA2CHKA
Benzene SCHEMBL27848615 0.78 CA2 (0.52) CA2CHKA
Cyclopropane SCHEMBL27848616 0.77 CA2 (0.50) CA2CHKA
SCHEMBL17740837 0.74 CA2 (0.69) CA2CHKA
SCHEMBL2627819 0.73 SMN1; SMN2 (0.33) CA2CHKA
SCHEMBL31254070 0.72
SCHEMBL21767973 0.69 CA2 (0.38) CA2CHKA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395977-A1 Process for the preparation of 4-hydroxy-6-polyfluoroalkylpyrimidines LONZA AG (CH) 1990-11-07 EP claimed
EP-3617207-B1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO LTD (JP) 2023-06-28 EP disclosed
CN-110582498-B Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2022-06-24 CN disclosed
US-11064699-B2 Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide comprising the compound or the salt, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2021-07-20 US disclosed
US-20200068893-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2020-03-05 US disclosed
EP-3617207-A1 FUSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING EITHER COMPOUND, AND METHOD FOR USING SAID INSECTICIDE Nihon Nohyaku Co., Ltd. (JP) 2020-03-04 EP disclosed
CN-110582498-A Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2019-12-17 CN disclosed
EP-2432780-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010134478-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 WO disclosed
EP-0395977-A1 Process for the preparation of 4-hydroxy-6-polyfluoroalkylpyrimidines LONZA AG (CH) 1990-11-07 EP disclosed
EP-0395977-A1 Process for the preparation of 4-hydroxy-6-polyfluoroalkylpyrimidines LONZA AG (CH) 1990-11-07 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-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS CA2 4377/4885CHKA 1443/4885
US-20200068893-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE H1-0, H1-3, H1-2 CA2 226/4885CHKA 2665/4885
US-11064699-B2 Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide comprising the compound or the salt, and method for using the insecticide H1-0, H1-3, H1-2 CA2 226/4885CHKA 2665/4885

“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.