SCHEMBL4679499

SCHEMBL4679499

C[CH]C(=O)OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
NAAA Q02083 2/20 0.41
HTT P42858 2/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 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
SCHEMBL7694142 0.98 EPHX1 (0.47) EPHX1NAAAHTTCA12CA1
SCHEMBL7690587 0.98 EPHX1 (0.47) EPHX1NAAAHTTCA12CA1
SCHEMBL158116 0.98 EPHX1 (0.47) EPHX1NAAAHTTCA12CA1
SCHEMBL4674368 0.95
SCHEMBL4673392 0.90
SCHEMBL19244485 0.82 EPHX1 (0.41) EPHX1NAAAHTTCA12CA1
SCHEMBL29256547 0.82 EPHX1 (0.41) EPHX1NAAAHTTCA12CA1
SCHEMBL28553654 0.82 EPHX1 (0.41) EPHX1NAAAHTTCA12CA1
SCHEMBL872685 0.80 EPHX1 (0.44) EPHX1NAAAHTTCA12CA1
SCHEMBL20856638 0.80 EPHX1 (0.44) EPHX1NAAAHTTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107073002-B The nucleoside derivates that the 4 '-vinyl as respiratory syncytial virus (RSV) rna replicon inhibitor replace 里博科学有限责任公司 2019-10-15 CN claimed
CN-107073002-A The nucleoside derivates replaced as 4 ' vinyl of respiratory syncytial virus (RSV) rna replicon inhibitor 里博科学有限责任公司 2017-08-18 CN claimed
CN-105307661-A 4'-azido, 3'-deoxy-3'-fluoro substituted nucleoside derivatives RIBOSCIENCE LLC 2016-02-03 CN claimed
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
CN-107073002-B The nucleoside derivates that the 4 '-vinyl as respiratory syncytial virus (RSV) rna replicon inhibitor replace 里博科学有限责任公司 2019-10-15 CN disclosed
CN-107073002-A The nucleoside derivates replaced as 4 ' vinyl of respiratory syncytial virus (RSV) rna replicon inhibitor 里博科学有限责任公司 2017-08-18 CN disclosed
CN-105307661-A 4'-azido, 3'-deoxy-3'-fluoro substituted nucleoside derivatives RIBOSCIENCE LLC 2016-02-03 CN disclosed
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
EP-0850227-B1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2008-01-09 EP disclosed
EP-1101761-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL CO (JP) 2005-08-17 EP disclosed
US-6869913-B1 Pyridazin-3-one derivatives, their use and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-22 US disclosed
EP-0683160-A1 Iminothiazoline derivatives and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-22 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed
US-5352659-A Polypeptide; hypotensive agents TAKEDA CHEMICAL INDUSTRIES (JP) 1994-10-04 US disclosed
US-5306808-A Endothelin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-26 US disclosed
EP-0547317-A1 Endothelin antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-23 EP disclosed
EP-0499266-A1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 WO disclosed