SCHEMBL8601485

SCHEMBL8601485

CCCCCC(Br)(CCCCC)CCCCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.44
SLC22A1 O15245 3/20 0.42
SLC22A2 O15244 1/20 0.42
FDPS P14324 7/20 0.39
GGPS1 O95749 4/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL27704949 0.97 TSHR (0.50) TSHRTHRBSLC22A1SLC22A2FDPS
SCHEMBL29218396 0.97 TSHR (0.41) TSHRTHRBSLC22A1SLC22A2FDPS
Ammonia Solution, Strong SCHEMBL1697449 0.94 TSHR (0.47) TSHRTHRBSLC22A1SLC22A2FDPS
Phosphine SCHEMBL1535966 0.94 TSHR (0.47) TSHRTHRBSLC22A1SLC22A2FDPS
Phosphine SCHEMBL10694267 0.94 TSHR (0.47) TSHRTHRBSLC22A1SLC22A2FDPS
Ammonia Solution, Strong SCHEMBL2210353 0.94 TSHR (0.47) TSHRTHRBSLC22A1SLC22A2FDPS
Ammonia Solution, Strong SCHEMBL11364094 0.94 TSHR (0.39) TSHRTHRBSLC22A1SLC22A2FDPS
Ammonia Solution, Strong SCHEMBL2315629 0.94 TSHR (0.47) TSHRTHRBSLC22A1SLC22A2FDPS
Ammonia Solution, Strong SCHEMBL11212815 0.94 TSHR (0.47) TSHRTHRBSLC22A1SLC22A2FDPS
Phosphine SCHEMBL28207799 0.94 TSHR (0.39) TSHRTHRBSLC22A1SLC22A2FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993000395-A1 ADDITIVES WHICH STABILIZE HYDROHALOCARBON BLOWING AGENT IN POLYURETHANE AND POLYISOCYANURATE FOAM FORMULATIONS DURING POLYMERIZATION ALLIED-SIGNAL INC. (US) 1993-01-07 WO claimed
US-5137929-A Additives which stabilize hydrohalocarbon blowing agent in polyurethane and polyisocyanurate foam formulations during polymerization ALLIED-SIGNAL INC. (US) 1992-08-11 US claimed
EP-0942033-A2 HCFC-141b blown PU foams with low levels of HCFC-113a by-products Bayer Corporation (US) 1999-09-15 EP disclosed
US-5849807-A HCFC-141b blown foams with low levels of HCFC-1131a by-products BAYER CORPORATION (US) 1998-12-15 US disclosed
US-5464560-A Polyurethanes BAYER CORPORATION (US) 1995-11-07 US disclosed
US-5407596-A Polyols for the production of foams with HCFC blowing agents MILES INC. (US) 1995-04-18 US disclosed
WO-1993000395-A1 ADDITIVES WHICH STABILIZE HYDROHALOCARBON BLOWING AGENT IN POLYURETHANE AND POLYISOCYANURATE FOAM FORMULATIONS DURING POLYMERIZATION ALLIED-SIGNAL INC. (US) 1993-01-07 WO disclosed
US-5137929-A Additives which stabilize hydrohalocarbon blowing agent in polyurethane and polyisocyanurate foam formulations during polymerization ALLIED-SIGNAL INC. (US) 1992-08-11 US disclosed