SCHEMBL4457581

SCHEMBL4457581

CCCCC(CC)COC(=O)CS.CCCCC(CC)COC(=O)CS.CCCCC(CC)COC(=O)CS.CCCC[Sn]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.62
TSHR P16473 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
ATM Q13315 1/20 0.62
RECQL P46063 1/20 0.52
ALDH1A1 P00352 7/20 0.48
CA2 P00918 4/20 0.48
LMNA P02545 4/20 0.44
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
CA1 P00915 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
SCHEMBL15010898 1.00 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL3687366 0.94 CYP3A4 (0.59) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL2491961 0.94 CYP3A4 (0.59) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL465537 0.92 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL5702384 0.92 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27210 0.92 CYP3A4 (0.72) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL962909 0.91 CYP3A4 (0.70) CYP3A4TSHRTDP1ATMRECQL
Hydrogen Sulfide SCHEMBL7193596 0.91 CYP3A4 (0.70) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL10796442 0.91 CYP3A4 (0.70) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7639807 0.91 CYP3A4 (0.70) CYP3A4TSHRTDP1ATMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8581000-B2 Process for preparing amide gellant compounds with aromatic end groups XEROX CORPORATION (US) 2013-11-12 US claimed
US-20120309924-A1 Process for Preparing Amide Gellant Compounds with Aromatic End Groups XEROX CORPORATION (US) 2012-12-06 US claimed
US-20090227710-A1 SILANE-TERMINATED POLYURETHANES WITH HIGH STRENGTH AND HIGH ELONGATION CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-09-10 US claimed
EP-1582541-A2 Silane-Terminated Polyurethanes with high stregth and high elongation Construction Research & Technology GmbH (DE) 2005-10-05 EP claimed
US-20050215701-A1 Silane-terminated polyurethanes with high strength and high elongation CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2005-09-29 US claimed
US-4518732-A SULFUR-CONTAINING ORGANOTIN COMPOUND, SOLID WAX LUBRICANT, HALOGEN CIBA GEIGY CORPORATION (US) 1985-05-21 US claimed
US-20240392060-A1 COMPOSITION FOR POLYURETHANE ELASTOMER, AND POLYURETHANE ELASTOMER DAICEL CORPORATION (JP) 2024-11-28 US disclosed
EP-4403587-A1 COMPOSITION FOR POLYURETHANE ELASTOMER, AND POLYURETHANE ELASTOMER Daicel Corporation (JP) 2024-07-24 EP disclosed
WO-2023042824-A1 COMPOSITION FOR POLYURETHANE ELASTOMER, AND POLYURETHANE ELASTOMER 株式会社ダイセル 2023-03-23 WO disclosed
US-8581000-B2 Process for preparing amide gellant compounds with aromatic end groups XEROX CORPORATION (US) 2013-11-12 US disclosed
US-8394909-B2 Silane-terminated polyurethanes with high strength and high elongation CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2013-03-12 US disclosed
US-20120309924-A1 Process for Preparing Amide Gellant Compounds with Aromatic End Groups XEROX CORPORATION (US) 2012-12-06 US disclosed
US-20090227710-A1 SILANE-TERMINATED POLYURETHANES WITH HIGH STRENGTH AND HIGH ELONGATION CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-09-10 US disclosed
US-7482420-B2 Silane-terminated polyurethanes with high strength and high elongation CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-01-27 US disclosed
EP-1582541-A2 Silane-Terminated Polyurethanes with high stregth and high elongation Construction Research & Technology GmbH (DE) 2005-10-05 EP disclosed
US-20050215701-A1 Silane-terminated polyurethanes with high strength and high elongation CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2005-09-29 US disclosed
US-4460754-A HEAT STABLILZERS OF AN ORGANOMERCATAN TIN COMPOUND AND/OR A B-AMINOCROTONIC ESTER HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-17 US disclosed