SCHEMBL7033812

SCHEMBL7033812

CC(CCS(=O)(=O)O)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 3/20 0.45
ALOX15 P16050 3/20 0.45
TSHR P16473 3/20 0.45
HSD17B10 Q99714 3/20 0.45
ALOX12 P18054 2/20 0.45
HIF1A Q16665 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.39
THRB P10828 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CASP1 P29466 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL21623905 1.00 ALDH1A1 (0.45) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL11043636 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL6315777 0.80 MMP2 (0.46) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1606115 0.77 MAPT (0.41) ALDH1A1TDP1SMN1; SMN2LMNANPC1
SCHEMBL28918347 0.76 NPC1 (0.40) ALDH1A1NPC1RAB9ACA9CYP1A2
SCHEMBL2386760 0.76 TDP1 (0.52) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL2388601 0.76 TDP1 (0.52) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL22975088 0.75 HDAC1 (0.48) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1899338 0.74 ALDH1A1 (0.58) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1454381 0.74 TDP1 (0.54) ALDH1A1CYP3A4ALOX15TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4107198-B1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2024-03-13 EP disclosed
EP-3560975-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES AND ANTIOXIDANTS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-12-06 EP disclosed
EP-3724251-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-11-22 EP disclosed
EP-3851472-B1 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-06-07 EP disclosed
US-20230080775-A1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2023-03-16 US disclosed
EP-4107198-A1 POLYISOCYANATE PREPARATIONS Covestro Deutschland AG (DE) 2022-12-28 EP disclosed
CN-110396165-B Ionically hydrophilicized polyisocyanates and antioxidants 科思创德国股份有限公司 2022-12-06 CN disclosed
CN-112041369-B Ionically hydrophilicized polyisocyanates, water content 科思创知识产权两合公司 2022-11-29 CN disclosed
CN-115066445-A Polyisocyanate formulations 科思创德国股份有限公司 2022-09-16 CN disclosed
CN-113651944-B Ionically hydrophilicized polyisocyanates having improved drying properties 科思创知识产权两合公司 2022-07-15 CN disclosed
EP-3724251-A1 IONIC HYDROPHILIZED POLYISOCYANATES, WATER CONTENT Covestro Intellectual Property GmbH & Co. KG (DE) 2020-10-21 EP disclosed
EP-3599255-A1 IONICALLY HYDROPHILIZED POLYISOCYANATES WITH IMPROVED DRYING Covestro Deutschland AG (DE) 2020-01-29 EP disclosed
CN-110396173-A Ionic hydrophilic polyisocyanates and free radical scavenger and/or peroxide decomposer COVESTRO DEUTSCHLAND AG 2019-11-01 CN disclosed
CN-110396165-A Ionic hydrophilic polyisocyanates and antioxidant COVESTRO DEUTSCHLAND AG 2019-11-01 CN disclosed
US-20190330409-A1 IONICALLY HYDROPHILIZED POLYISOCYANATES AND ANTIOXIDANTS COVESTRO DEUTSCHLAND AG (DE) 2019-10-31 US disclosed
US-20190330408-A1 IONICALLY HYDROPHILIZED POLYISOCYANATES AND RADICAL SCAVENGERS AND/OR PEROXIDE DECOMPOSERS COVESTRO DEUTSCHLAND AG (DE) 2019-10-31 US disclosed
EP-3560975-A1 IONICALLY HYDROPHILIZED POLYISOCYANATES AND ANTIOXIDANTS Covestro Deutschland AG (DE) 2019-10-30 EP disclosed
EP-3560974-A1 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT Covestro Deutschland AG (DE) 2019-10-30 EP disclosed
EP-3560976-A1 IONICALLY HYDROPHILIZED POLYISOCYANATES AND RADICAL SCAVENGER AND/OR PEROXIDE DECOMPOSITION AGENT Covestro Deutschland AG (DE) 2019-10-30 EP disclosed
EP-1288713-A1 Processing agent for silver halide color photosensitive material and processing method thereof Chugai Photo Chemical Co. Ltd. (JP) 2003-03-05 EP disclosed