Vinyl Chloride

Vinyl Chloride

SCHEMBL8507464

C=CCl.C=COC(=O)CCC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 4/20 0.40
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL23026 0.93
SCHEMBL5586920 0.93 ALDH1A1 (0.52) ALDH1A1TSHRCES2CES1HDAC3
SCHEMBL28067284 0.91
Ethylene SCHEMBL625068 0.91 ALDH1A1 (0.50) ALDH1A1TSHRCES2CES1HDAC3
1,1-Dichloroethene SCHEMBL1276049 0.89 ALDH1A1 (0.44) ALDH1A1TSHRCES2CES1HDAC3
Alcohol SCHEMBL2592803 0.89 ALDH1A1 (0.48) ALDH1A1TSHRCES2CES1HDAC3
Propene SCHEMBL11850191 0.89 ALDH1A1 (0.48) ALDH1A1TSHRCES2CES1HDAC3
Water SCHEMBL28124940 0.89 ALDH1A1 (0.48) ALDH1A1TSHRCES2CES1HDAC3
Vinyl Chloride SCHEMBL8507026 0.88 TSHR (0.50) ALDH1A1TSHRCES2CES1LMNA
SCHEMBL11312472 0.88 ALDH1A1 (0.43) ALDH1A1TSHRCES2CES1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0692389-B1 REVERSIBLE HEAT-SENSITIVE RECORDING MEDIUM, AND IMAGE FORMING AND ERASING METHOD RICOH KK (JP) 1999-09-01 EP claimed
US-5747413-A CHANGE IN TRANSPARENCY RICOH COMPANY, LTD. (JP) 1998-05-05 US claimed
EP-0692389-A1 REVERSIBLE HEAT-SENSITIVE RECORDING MEDIUM, AND IMAGE FORMING AND ERASING METHOD Ricoh Company, Ltd (JP) 1996-01-17 EP claimed
CN-104662080-B Water-based blend compositions and methods of making the same 陶氏环球技术有限责任公司 2019-04-02 CN disclosed
CN-107434866-A Water base blend composition and preparation method thereof 陶氏环球技术有限责任公司 2017-12-05 CN disclosed
EP-0692389-B1 REVERSIBLE HEAT-SENSITIVE RECORDING MEDIUM, AND IMAGE FORMING AND ERASING METHOD RICOH KK (JP) 1999-09-01 EP disclosed
US-5811359-A MULTILAYER FLEXIBLE PROTECTIVE CLOTHING A TWENTY PERCENT INTEREST TO THE ACADEMY OF APPLIED SCIENCE 1998-09-22 US disclosed
US-5747413-A CHANGE IN TRANSPARENCY RICOH COMPANY, LTD. (JP) 1998-05-05 US disclosed
EP-0692389-A1 REVERSIBLE HEAT-SENSITIVE RECORDING MEDIUM, AND IMAGE FORMING AND ERASING METHOD Ricoh Company, Ltd (JP) 1996-01-17 EP disclosed