SCHEMBL8950937

SCHEMBL8950937

C(OCC1CO1)C1CO1.ClCl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
ALDH1A1 P00352 10/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 3/20 0.48
TP53 P04637 5/20 0.38
CYP3A4 P08684 2/20 0.38
HIF1A Q16665 2/20 0.38
GLA P06280 1/20 0.35
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL15245 0.94
SCHEMBL2933673 0.94
SCHEMBL4895623 0.94 TSHR (0.68) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL4623846 0.94
SCHEMBL2933671 0.94
Hypochlorous Acid SCHEMBL27968375 0.91 TSHR (0.59) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Methane SCHEMBL292683 0.90 TSHR (0.65) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Water SCHEMBL3652389 0.90 TSHR (0.65) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL216280 0.90 TSHR (0.65) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Water SCHEMBL462214 0.90 TSHR (0.65) TSHRALDH1A1MAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5567748-A A REACTION PRODUCT OF HYDROPHILIC POLYOXYALKYLENE AMINES AND DIGLYCIDYL ETHERS OF A POLYALKYLENE GLYCOL; CURING AGENTS, EMULSIFIERS, DISPERSANTS; WATERBASE PAINTS THE DOW CHEMICAL COMPANY (US) 1996-10-22 US disclosed
EP-0617726-B1 WATER COMPATIBLE AMINE TERMINATED RESIN USEFUL FOR CURING EPOXY RESINS DOW CHEMICAL CO (US) 1996-01-31 EP disclosed
EP-0617726-A1 WATER COMPATIBLE AMINE TERMINATED RESIN USEFUL FOR CURING EPOXY RESINS. DOW CHEMICAL CO (US) 1994-10-05 EP disclosed
WO-1993012187-A1 WATER COMPATIBLE AMINE TERMINATED RESIN USEFUL FOR CURING EPOXY RESINS THE DOW CHEMICAL COMPANY (US) 1993-06-24 WO disclosed