SCHEMBL21779484

SCHEMBL21779484

CCCC(CC)(CC)CCNC

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36

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
SCHEMBL25593983 0.86 EPHX1 (0.31) EPHX1
SCHEMBL6275609 0.82 EPHX1 (0.35) EPHX1
SCHEMBL16287226 0.80 TSHR (0.33)
SCHEMBL6270852 0.79 EPHX1 (0.31) EPHX1
SCHEMBL24593051 0.77
SCHEMBL19853518 0.76
SCHEMBL9248668 0.73 TSHR (0.33)
SCHEMBL597579 0.73 TSHR (0.33)
SCHEMBL10039386 0.72 EPHX1 (0.35) EPHX1
SCHEMBL22031411 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed
WO-2020102004-A2 HYDROLYTICALLY STABLE POLYMERS, METHOD OF SYNTHESIS THEREOF AND USE IN BIO-ELECTRONIC DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-05-22 WO disclosed
EP-3617235-A1 COMPOUND HAVING SUBSTANCE THAT HAS AFFINITY FOR SOLUBLE PROTEIN, CLEAVABLE MOIETY, AND REACTIVE GROUP, OR SALT THEREOF Ajinomoto Co., Inc. (JP) 2020-03-04 EP disclosed