SCHEMBL9808534

SCHEMBL9808534

CCCCCCCCC(Cl)(CCCCCCC)CCCCC(Cl)(CCCCCCC)CCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 1/20 0.45
FDPS P14324 10/20 0.44
SMPD1 P17405 2/20 0.44
GGPS1 O95749 6/20 0.42
CES2 O00748 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39

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
SCHEMBL8685667 1.00 TSHR (0.50) TSHRTHRBALDH1A1FDPSSMPD1
SCHEMBL5178216 1.00 TSHR (0.50) TSHRTHRBALDH1A1FDPSSMPD1
SCHEMBL8685461 1.00 TSHR (0.50) TSHRTHRBALDH1A1FDPSSMPD1
SCHEMBL28639329 1.00 TSHR (0.50) TSHRTHRBALDH1A1FDPSSMPD1
SCHEMBL8687488 1.00 TSHR (0.50) TSHRTHRBALDH1A1FDPSSMPD1
SCHEMBL7613996 1.00 TSHR (0.50) TSHRTHRBALDH1A1FDPSSMPD1
Ammonia Solution, Strong SCHEMBL1094258 0.97 TSHR (0.47) TSHRTHRBALDH1A1FDPSSMPD1
Ammonia Solution, Strong SCHEMBL11831912 0.97 TSHR (0.47) TSHRTHRBALDH1A1FDPSSMPD1
Ammonia Solution, Strong SCHEMBL11830969 0.97 TSHR (0.47) TSHRTHRBALDH1A1FDPSSMPD1
Ammonia Solution, Strong SCHEMBL11832302 0.97 TSHR (0.47) TSHRTHRBALDH1A1FDPSSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224179-B1 PROCESS FOR THE MANUFACTURE OF POLYMERS CONTAINING REACTIVE END GROUPS BAYER AG (DE) 1991-05-15 EP disclosed
US-4740572-A Process for the production of polymers containing reactive terminal groups BAYER AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
EP-0224759-A2 Manufacture of polymers by cationic polymerization BAYER AG (DE) 1987-06-10 EP disclosed
EP-0224179-A2 Process for the manufacture of polymers containing reactive end groups BAYER AG (DE) 1987-06-03 EP disclosed
US-4611037-A HALOGEN END GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
EP-0175122-A2 Process for the manufacture of polymers containing reactive end groups BAYER AG (DE) 1986-03-26 EP disclosed