SCHEMBL7527773

SCHEMBL7527773

CCCCCC(Cl)Cl.O=C=NCN=C=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
GPR84 Q9NQS5 7/20 0.33
NAAA Q02083 1/20 0.33
FDPS P14324 4/20 0.32
OPRM1 P35372 1/20 0.32
FFAR1 O14842 1/20 0.31
CA1 P00915 1/20 0.31
TP53 P04637 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
Hexane SCHEMBL6756710 0.82 TSHR (0.39) MAPTGPR84NAAA
Hexane SCHEMBL3357674 0.82 TSHR (0.39) MAPTGPR84NAAA
Heptane SCHEMBL6858384 0.80 TSHR (0.44) NAAA
Dodecane SCHEMBL4614619 0.80 TSHR (0.44) NAAA
Pentane SCHEMBL5376888 0.78 TSHR (0.41) NAAA
SCHEMBL169284 0.78
SCHEMBL3696442 0.77 MAPT (0.42) MAPTGPR84FDPSFFAR1
SCHEMBL2815894 0.76 NAAA (0.44) GPR84NAAAFDPSOPRM1
SCHEMBL16969849 0.75 TSHR (0.50) MAPTGPR84FDPSOPRM1FFAR1
Heptane SCHEMBL15226631 0.75 TSHR (0.50) MAPTGPR84FDPSOPRM1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1138630-C Composite consisting of polyurethane and thermoplastic material contg. inorganic polar additive 拜尔公司 2004-02-18 CN disclosed
US-6461732-B1 FOR PRODUCING FOAM, COATING OR A COMPACT MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
US-20020058716-A1 COMPOSITES CONSISTING OF POLYURETHANE AND A THERMOPLASTIC MATERIAL CONTAINING AN INORGANIC POLAR ADDITIVE BAYER AKTIENGESELLSCHAFT (DE) 2002-05-16 US disclosed
CN-1276757-A Composite consisting of polyurethane and thermoplastic material contg. inorganic polar additive BAYER AG (DE) 2000-12-13 CN disclosed
EP-0385226-A2 Blends of polydiorganosiloxane-polycarbonate block copolymers and thermoplastic polyurethanes and optionally graft polymers BAYER AG (DE) 1990-09-05 EP disclosed
US-4929674-A AND ALKYL (METH)ACRYLATE GRAFTED DIENE RUBBER BAYER AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0337206-A2 Mixtures of thermoplastic poly(ester)carbonates with thermoplastic polyurethanes BAYER AG (DE) 1989-10-18 EP disclosed