SCHEMBL10486709

SCHEMBL10486709

CCCCCCCCCCCC(C)(C)N=NC(C)(C)CCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
GGPS1 O95749 6/20 0.39
FDPS P14324 9/20 0.38
SMPD1 P17405 2/20 0.37
CES2 O00748 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL10486685 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10486713 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10486719 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10486695 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10486721 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL1487478 0.97 TSHR (0.39) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10486725 0.90 TSHR (0.33) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10486690 0.90 TSHR (0.33) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL1253188 0.88 TSHR (0.35) TSHRTHRBFDPS
SCHEMBL1253189 0.88 TSHR (0.35) TSHRTHRBFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4604455-A REACTING TWO PRIMARY AMINES WITH SULFURYL CHLORIDE, OXIDIZING MIXTURE OF SULFAMIDE PRODUCTS PENNWALT CORPORATION (US) 1986-08-05 US claimed
US-4831096-A VARYING THERMAL STABILITIES PENNWALT CORPORATION (US) 1989-05-16 US disclosed
US-4604455-A REACTING TWO PRIMARY AMINES WITH SULFURYL CHLORIDE, OXIDIZING MIXTURE OF SULFAMIDE PRODUCTS PENNWALT CORPORATION (US) 1986-08-05 US disclosed