SCHEMBL1628431

SCHEMBL1628431

NC1(N)C=CC(c2cccc(Cl)c2)=CC1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDO2 P48775 1/20 0.36
DHFR P00374 1/20 0.36
ALOX5 P09917 1/20 0.35
MAOB P27338 3/20 0.35
IDO1 P14902 3/20 0.35
IKBKE Q14164 1/20 0.35
KDM1A O60341 1/20 0.35
MAP4K4 O95819 1/20 0.34
HRH1 P35367 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PGR P06401 1/20 0.33
HTR2C P28335 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
Methane SCHEMBL28118878 0.98 NOTUM (0.37) NOTUMTAAR1TDO2DHFRALOX5
SCHEMBL4603856 0.83 ALOX5 (0.38) NOTUMTAAR1TDO2ALOX5IDO1
Methane SCHEMBL27715684 0.81 HTT (0.30)
SCHEMBL10410660 0.75 ALDH1A1 (0.37) NOTUMTDO2DHFRMAOBKDM1A
SCHEMBL28455442 0.71 PGR (0.36) NOTUMTAAR1TDO2DHFRMAOB
SCHEMBL27790664 0.66
SCHEMBL10398013 0.65 CA1 (0.36) TAAR1ALOX5PGR
SCHEMBL817554 0.65 ALOX5 (0.65) NOTUMTAAR1ALOX5MAOBIDO1
SCHEMBL31222672 0.65 ALOX5 (0.65) NOTUMTAAR1ALOX5MAOBIDO1
SCHEMBL21091939 0.64 PGR (0.38) NOTUMALOX5IDO1ALDH1A1PGR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176912-A1 Composition for polyurethane elastomer having high hardness and excellent abrasion resistance SKC CO. LTD (KR) 2005-08-11 US claimed
EP-1472299-A4 COMPOSITION FOR POLYURETHANE ELASTOMER HAVING HIGH HARDNESS AND EXCELLENT ABRASION RESISTANCE SKC CO LTD (KR) 2005-04-20 EP claimed
US-6852823-B2 Polyurethane and polyurethane-urea elastomers from polytrimethylene ether glycol E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-02-08 US claimed
EP-1472299-A1 COMPOSITION FOR POLYURETHANE ELASTOMER HAVING HIGH HARDNESS AND EXCELLENT ABRASION RESISTANCE SKC Co., Ltd. (KR) 2004-11-03 EP claimed
WO-2003066703-A1 COMPOSITION FOR POLYURETHANE ELASTOMER HAVING HIGH HARDNESS AND EXCELLENT ABRASION RESISTANCE SKC CO. LTD. (KR) 2003-08-14 WO claimed
CN-113710759-B Stain resistant coating compositions PPG工业俄亥俄公司 2023-03-10 CN disclosed
CN-115595159-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司(TW) 2023-01-13 CN disclosed
CN-115368914-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 奇美实业股份有限公司 2022-11-22 CN disclosed
CN-108003896-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2022-10-21 CN disclosed
CN-115185157-A Photosensitive resin composition, method for producing cured relief pattern, and semiconductor device 旭化成株式会社 2022-10-14 CN disclosed
WO-2021153608-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION AND METHOD FOR MANUFACTURING CURED RELIEF PATTERN 旭化成株式会社 2021-08-05 WO disclosed
WO-2020196103-A1 PRODUCTION METHOD FOR COLORLESS TRANSPARENT RESIN FILM 三菱瓦斯化学株式会社 2020-10-01 WO disclosed
US-7928161-B2 Useful in a variety of coating, sealant, adhesive, cast articles, thin-walled articles such as gloves, including medical or surgical gloves, condoms; can be blended with a variety of types of useful additives including fillers, dryers, pesticides, fertilizers DOW GLOBAL TECHNOLOGIES LLC (US) 2011-04-19 US disclosed
US-20080097044-A1 Useful in a variety of coating, sealant, adhesive, cast articles, thin-walled articles such as gloves, including medical or surgical gloves, condoms; can be blended with a variety of types of useful additives including fillers, dryers, pesticides, fertilizers DOW GLOBAL TECHNOLOGIES LLC 2008-04-24 US disclosed
US-20050176912-A1 Composition for polyurethane elastomer having high hardness and excellent abrasion resistance SKC CO. LTD (KR) 2005-08-11 US disclosed
EP-1472299-A4 COMPOSITION FOR POLYURETHANE ELASTOMER HAVING HIGH HARDNESS AND EXCELLENT ABRASION RESISTANCE SKC CO LTD (KR) 2005-04-20 EP disclosed
EP-1472299-A1 COMPOSITION FOR POLYURETHANE ELASTOMER HAVING HIGH HARDNESS AND EXCELLENT ABRASION RESISTANCE SKC Co., Ltd. (KR) 2004-11-03 EP disclosed
WO-2003066703-A1 COMPOSITION FOR POLYURETHANE ELASTOMER HAVING HIGH HARDNESS AND EXCELLENT ABRASION RESISTANCE SKC CO. LTD. (KR) 2003-08-14 WO disclosed
WO-1994006057-A1 POLYIMIDE PRECURSOR AND PHOTOSENSITIVE COMPOSITION CONTAINING THE SAME ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-03-17 WO disclosed
US-5098738-A Coating a suspension of an isocyanate and an imino compound for color development and adjustment of pH with acid or base ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-03-24 US disclosed