SCHEMBL2122815

SCHEMBL2122815

CCC(C)n1c(=O)c(Br)cn(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPT P10636 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
SCHEMBL12913681 0.71 MET (0.36) TSHRMAPT
SCHEMBL10803891 0.69 GRIA1 (0.32) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL11499847 0.69 TSHR (0.31) TSHR
SCHEMBL11429813 0.68 TSHR (0.37) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL21900221 0.65 ALDH1A1 (0.35) ADORA2BMAPT
SCHEMBL17870742 0.65 ALDH1A1 (0.35) ADORA2BMAPT
SCHEMBL11692014 0.65 TNF (0.35) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL17870776 0.65 ALDH1A1 (0.42) MAPT
SCHEMBL11726443 0.64 ADORA3 (0.31) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL20472435 0.64 CNR2 (0.44) ADORA2ATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120164203-A1 PROCESS FOR PREPARATION OF STABLE, MICROENCAPSULATED AND SUSTAINED RELEASE BIOCIDAL ACTIVES AND COMPOSITION THEREOF TROY TECHNOLOGY II, INC. 2012-06-28 — — US disclosed
EP-2442643-A1 A PROCESS FOR PREPARATION OF STABLE, MICROENCAPSULATED AND SUSTAINED RELEASE BIOCIDAL ACTIVES AND COMPOSITION THEREOF Isp Investments Inc. (US) 2012-04-25 — — EP disclosed
WO-2010148158-A1 A PROCESS FOR PREPARATION OF STABLE, MICROENCAPSULATED AND SUSTAINED RELEASE BIOCIDAL ACTIVES AND COMPOSITION THEREOF ISP INVESTMENTS INC. (US) 2010-12-23 — — WO disclosed
US-6432884-B1 Agricultural adjuvant COGNIS CORPORATION 2002-08-13 — — US disclosed
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