SCHEMBL17430741

SCHEMBL17430741

CCC(C)(Br)C(=O)OCCO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
TSHR P16473 1/20 0.34
MGLL Q99685 1/20 0.33
CHRM2 P08172 3/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5613336 0.85 ALDH1A1 (0.39) TSHRCHRM2CHRM1CHRM3CHRM4
SCHEMBL3036484 0.85 TSHR (0.35) ACHECYP4F2CYP4A11TSHRMGLL
Ethylene SCHEMBL3036482 0.82 TSHR (0.38) ACHECYP4F2CYP4A11TSHRCHRM2
SCHEMBL5613624 0.82 ALDH1A1 (0.48) TSHRALDH1A1HSD17B10
SCHEMBL1198114 0.80 TSHR (0.38) ACHECYP4F2CYP4A11TSHRMGLL
SCHEMBL2784663 0.80 TSHR (0.38) ACHECYP4F2CYP4A11TSHRMGLL
SCHEMBL675195 0.80 CYP4F2 (0.42) CYP4F2CYP4A11TSHRALDH1A1GAA
SCHEMBL18022305 0.79 CHRM2 (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL75751 0.78 CYP4F2 (0.46) ACHECYP4F2CYP4A11TSHRMGLL
SCHEMBL2444342 0.78 ACHE (0.38) ACHECYP4F2CYP4A11TSHRMGLL

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-20170361281-A1 FILTRATION MEMBRANES WITH FUNCTIONALIZED STAR POLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-12-21 US disclosed
US-9782727-B2 Filtration membranes with functionalized star polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-10-10 US disclosed
US-20170001151-A1 ANTIFOULING AND ANTIMICROBIAL COATINGS FOR THIN FILM COMPOSITE MEMBRANES INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-01-05 US disclosed
US-20160008769-A1 FILTRATION MEMBRANES WITH FUNCTIONALIZED STAR POLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-01-14 US disclosed