SCHEMBL9705573

SCHEMBL9705573

BrCc1ccc(OCCCCOc2ccc(CBr)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
PRSS1 P07477 1/20 0.43

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
SCHEMBL9539656 0.98 KCNA3 (0.48) KCNA3
SCHEMBL10614694 0.98 KCNA3 (0.48) KCNA3
SCHEMBL9705568 0.98 KCNA3 (0.48) KCNA3
SCHEMBL9705589 0.92 TRPA1 (0.43) KCNA3HRH3PRSS1
SCHEMBL13932446 0.91 KCNA3 (0.67) KCNA3L3MBTL1
SCHEMBL8884778 0.91 PRMT1 (0.46) KCNA3HRH3PRSS1
SCHEMBL6267484 0.89 NPC1 (0.41) KCNA3
SCHEMBL4151657 0.89 HRH3 (0.40) KCNA3HRH3
SCHEMBL4487824 0.89 LTA4H (0.53)
SCHEMBL4086993 0.88 TRPA1 (0.40) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228803-B1 IONENE ELASTOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-16 EP claimed
EP-0228803-A2 Ionene elastomers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-07-15 EP claimed
US-4677182-A COATINGS, ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1987-06-30 US claimed
EP-0228803-B1 IONENE ELASTOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-16 EP disclosed
US-4794031-A POLYMERIC DIAMINES, DIHALIDE LINKING AGENTS, POLYETHERS, ACRYLIC COPOLYMERS, ENCAPPING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-12-27 US disclosed
US-4734458-A QUATERNIZED POLYAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-03-29 US disclosed
EP-0228803-A2 Ionene elastomers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-07-15 EP disclosed
US-4677182-A COATINGS, ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1987-06-30 US disclosed