SCHEMBL6652231

SCHEMBL6652231

CCCCCCCCCCCCCCCCCCCC(CC)(CCCCCC)OC(CC)(CCCCCC)CCCCCCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
GGPS1 O95749 6/20 0.38
SMPD1 P17405 5/20 0.38
FDPS P14324 9/20 0.37
CES2 O00748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35

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
SCHEMBL8663555 0.97 TSHR (0.40) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL9233911 0.97 TSHR (0.37) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL130209 0.92 TSHR (0.37) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL29286569 0.90 TSHR (0.35) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL7189663 0.89 TSHR (0.47) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL30381193 0.89 TSHR (0.47) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL28571235 0.89 TSHR (0.47) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL8470352 0.89 TSHR (0.47) TSHRTHRBGGPS1SMPD1FDPS
Methoxymethane SCHEMBL28688110 0.87 TSHR (0.33) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL571523 0.86 TSHR (0.44) TSHRTHRBGGPS1SMPD1FDPS

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
EP-1133596-B1 WATERPROOFING AGENTS FOR TEXTILE FINISHING COGNIS DEUTSCHLAND GMBH (DE) 2004-03-17 EP disclosed
EP-1133596-A1 WATERPROOFING AGENTS FOR TEXTILE FINISHING Cognis Deutschland GmbH (DE) 2001-09-19 EP disclosed
WO-2000032866-A1 WATERPROOFING AGENTS FOR TEXTILE FINISHING COGNIS DEUTSCHLAND GMBH (DE) 2000-06-08 WO disclosed