SCHEMBL9763059

SCHEMBL9763059

BrCc1cccc2c1C=C2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL9763293 0.82 TDP1 (0.34)
SCHEMBL9719500 0.80 HSPA5 (0.35) GABRA1GABRB2
SCHEMBL9719425 0.76 HSPA5 (0.37) GABRA1GABRB2
SCHEMBL9719519 0.71 BCL2 (0.33)
SCHEMBL9092024 0.71 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL2974985 0.70 TRPA1 (0.30)
SCHEMBL9092458 0.69 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL4438716 0.68 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL3971126 0.67
SCHEMBL28289 0.67 TSHR (0.50) GABRA1GABRB2

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
US-4994548-A Modified bisphenol resins having at least one arylcyclo-butanenealkyl moiety SHELL OIL COMPANY (US) 1991-02-19 US disclosed
EP-0397277-A2 Modified bisphenols SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-11-14 EP disclosed
US-4960956-A Modified bisphenols having at least one arylcyclobutenealkyl moiety and cured products therefrom SHELL OIL COMPANY (US) 1990-10-02 US disclosed