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SCHEMBL9490928

SCHEMBL9490928

CC(Cl)Cl.CC(Cl)Cl.CC(Cl)Cl.CC(Cl)Cl.CC(Cl)Cl.CC(Cl)Cl.CC(Cl)Cl.CC(Cl)Cl.CCCCCCCC(C)(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ FDPS P14324 10/20 0.38
▸ SMPD1 P17405 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ GGPS1 O95749 6/20 0.35
▸ CES2 O00748 1/20 0.33
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL1697699 0.90 TSHR (0.47) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL11430622 0.90 TSHR (0.47) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL8845772 0.90 TSHR (0.47) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL28493815 0.90 TSHR (0.47) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL28217486 0.90 TSHR (0.47) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL7638807 0.87 — —
SCHEMBL7780103 0.79 — —
Heptane SCHEMBL11155553 0.79 TSHR (0.61) TSHRTHRBALDH1A1
SCHEMBL7299529 0.77 FDPS (0.35) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL25101330 0.76 TSHR (0.38) TSHRTHRBFDPSSMPD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 — — US disclosed