SCHEMBL6436065

SCHEMBL6436065

CCCCC(CC)C[Sn]CC(CC)CCCC.OC(O)(O)C(O)(O)O.OC(O)(O)C(O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 6/20 0.48
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 2/20 0.45
CA2 P00918 4/20 0.41
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL384175 0.89 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL21811195 0.79 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL2474003 0.78 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL20508881 0.78 ALDH1A1 (0.82) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL7745630 0.77 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL10960750 0.75 CYP3A4 (0.48) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL2472882 0.73 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL11529491 0.71 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL11532578 0.71 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL11529003 0.71 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6359100-B1 REACTING POLYETHER POLYOL, A POLYESTER POLYOL IN PRESENCE OF HYDROXY COMPOUND WITH DIISOCYANATE COMPOUND; IN THE PRESENCE OF A NON-CYTOTOXIC CATALYST TO FORM A HYDROXY-TERMINATED INTERMEDIATE PRODUCT; REACTING WITH ISOCYANATE COMPOUND BRISTOL-MYERS SQUIBB COMPANY 2002-03-19 US claimed
WO-2023110106-A1 METAL-OXIDE-COATED THERMOPLASTIC MICROPARTICLES HAVING BIODEGRADABILITY WACKER CHEMIE AG (DE) 2023-06-22 WO disclosed
EP-1051437-B1 METHODS OF PREPARING POLYURETHANE ADHESIVES AND ADHESIVES PRODUCED THEREBY BRISTOL MYERS SQUIBB CO (US) 2005-08-17 EP disclosed
US-6359100-B1 REACTING POLYETHER POLYOL, A POLYESTER POLYOL IN PRESENCE OF HYDROXY COMPOUND WITH DIISOCYANATE COMPOUND; IN THE PRESENCE OF A NON-CYTOTOXIC CATALYST TO FORM A HYDROXY-TERMINATED INTERMEDIATE PRODUCT; REACTING WITH ISOCYANATE COMPOUND BRISTOL-MYERS SQUIBB COMPANY 2002-03-19 US disclosed
EP-1051437-A4 METHODS OF PREPARING POLYURETHANE ADHESIVES, ADHESIVES PRODUCED THEREBY AND MEDICAL DEVICES EMPLOYING THE SAME BRISTOL MYERS SQUIBB CO (US) 2001-07-04 EP disclosed
EP-1051437-A1 METHODS OF PREPARING POLYURETHANE ADHESIVES, ADHESIVES PRODUCED THEREBY AND MEDICAL DEVICES EMPLOYING THE SAME Bristol-Myers Squibb Company (US) 2000-11-15 EP disclosed
WO-1999038900-A1 METHODS OF PREPARING POLYURETHANE ADHESIVES, ADHESIVES PRODUCED THEREBY AND MEDICAL DEVICES EMPLOYING THE SAME BRISTOL-MYERS SQUIBB COMPANY (US) 1999-08-05 WO disclosed
US-5399652-A Non-yellowing textile finish WACKER-CHEMIE GMBH (DE) 1995-03-21 US disclosed
US-5302659-A Reacting with a carboxylic anhydride WACKER-CHEMIE GMBH (DE) 1994-04-12 US disclosed
US-5274154-A Treating with a scavenger for a hydroxyl group, e.g. organic isocyanate WACKER-CHEMIE GMBH 1993-12-28 US disclosed
US-4720520-A Method for impregnating organic fibers WACKER-CHEMIE GMBH (DE) 1988-01-19 US disclosed
US-4559385-A Method for preparing aqueous emulsions WACKER-CHEMIE GMBH (DE) 1985-12-17 US disclosed
US-4555419-A Method of impregnating textile materials made from organic fibers WACKER-CHEMIE GMBH (DE) 1985-11-26 US disclosed
US-4436856-A Aqueous organopolysiloxane emulsiers and a process for treating organic fibers therewith WACKER-CHEMIE GMBH (DE) 1984-03-13 US disclosed