SCHEMBL4644640

SCHEMBL4644640

COc1ccccc1Sc1ccccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA12 O43570 1/20 0.60
CA4 P22748 1/20 0.60
CA14 Q9ULX7 1/20 0.60
HAO1 Q9UJM8 1/20 0.56
KMT2A Q03164 2/20 0.56
HTR1A P08908 1/20 0.54
HTR3A P46098 1/20 0.54
AR P10275 2/20 0.53
IDO1 P14902 4/20 0.53
DHFR P00374 1/20 0.53
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51

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
SCHEMBL31345525 1.00 CA1 (0.60) CA1CA2CA7CA9CA12
Lithium SCHEMBL9505754 0.97 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL9505741 0.97 CA1 (0.57) CA1CA2CA7CA9CA12
Hydrogen Peroxide SCHEMBL28640288 0.95 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL1341389 0.87 ALDH1A1 (0.59) CA1CA2CA7CA9CA12
SCHEMBL3289071 0.86 AR (0.56) CA1CA2CA7CA9CA12
SCHEMBL943297 0.84 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL28254428 0.84 KMT2A (0.51) CA1CA2CA7CA9CA12
SCHEMBL9018821 0.84 IFNAR1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL27612959 0.82 KMT2A (0.59) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115141814-B Application of 4-hydroxyacetophenone monooxygenase 江南大学 2023-05-05 CN claimed
CN-114761410-B Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2023-08-25 CN disclosed
US-20230235115-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-07-27 US disclosed
CN-111087355-B Synthetic method of 5-trifluoromethyl-isoxazole compound 福州大学 2023-04-04 CN disclosed
CN-114761410-A Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2022-07-15 CN disclosed
CN-109328187-B Novel compound with FGFR (FGFR) inhibitory activity as well as preparation and application thereof 中国科学院上海药物研究所 2022-04-26 CN disclosed
WO-2022075383-A1 ESTER COMPOUND AND RESIN COMPOSITION 味の素株式会社 2022-04-14 WO disclosed
CN-108884110-B Sulfonium salt, photoacid generator, photocurable composition, and cured product thereof 三亚普罗股份有限公司 2021-09-14 CN disclosed
CN-111087355-A Synthetic method of 5-trifluoromethyl-isoxazole compound 福州大学 2020-05-01 CN disclosed
EP-3480205-A1 SULFONIUM SALT, PHOTOACID GENERATOR, PHOTOCURABLE COMPOSITION, AND CURED PRODUCT THEREOF San-Apro Ltd. (JP) 2019-05-08 EP disclosed
CN-1518680-A Polarizing plate and liquid crystal display using the same 富士胶片株式会社 2004-08-04 CN disclosed
EP-1421946-A1 A PHARMACEUTICAL BEING USED FOR TREATING HIV INFECTION, THE COMPOSITION AND USES THEREOF Tianjin Fusogen Biotech Co., Ltd (CN) 2004-05-26 EP disclosed
US-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
EP-0794218-B1 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENG PLASTICS CORP (JP) 2003-10-15 EP disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
US-4533497-A N-ethylidene azetidinones ELI LILLY AND COMPANY (US) 1985-08-06 US disclosed
US-4339611-A BUTANOL, BUTANAL, COBALT, IODINE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-07-13 US disclosed