SCHEMBL748238

SCHEMBL748238

COc1[c]c(OC)c(C)cc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL15063623 0.78
SCHEMBL15063979 0.78
SCHEMBL161217 0.76 CA2 (0.36)
SCHEMBL745940 0.74
SCHEMBL315488 0.74 KDM4E (0.35)
SCHEMBL29212774 0.74 TUBB1 (0.31)
SCHEMBL5653822 0.70 ALDH1A1 (0.39)
SCHEMBL2306800 0.70 TUBB1 (0.31)
SCHEMBL7679493 0.70 ACHE (0.34)
SCHEMBL7820403 0.69 PDE4B (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4759762-B2 2011-08-31 JP claimed
EP-0891331-B1 N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMA (US) 2003-10-01 EP claimed
EP-0891331-A1 N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY Vertex Pharmaceuticals Incorporated (US) 1999-01-20 EP claimed
US-5717092-A Compounds with improved multi-drug resistance activity VERTEX PHARMACEUTICALS INC. (US) 1998-02-10 US claimed
WO-1997036869-A1 N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-10-09 WO claimed
US-20240044876-A1 IDENTIFYING NEW THERAPEUTIC AGENTS WARP DRIVE BIO, INC. 2024-02-08 US disclosed
WO-2023190912-A1 POLAR-GROUP-CONTAINING OLEFIN COPOLYMER AND METHOD FOR PRODUCING SAME 日本ポリケム株式会社 2023-10-05 WO disclosed
EP-3978537-B1 POLAR GROUP-CONTAINING OLEFIN COPOLYMER UNIV TOKYO (JP) 2023-09-13 EP disclosed
US-11644460-B2 Identifying new therapeutic agents Revolution Medicines, Inc. (US) 2023-05-09 US disclosed
WO-2023033030-A1 POLAR-GROUP-CONTAINING OLEFIN COPOLYMER AND METHOD FOR PRODUCING SAME 国立大学法人 東京大学 2023-03-09 WO disclosed
US-20220220239-A1 POLAR GROUP-CONTAINING OLEFIN COPOLYMER THE UNIVERSITY OF TOKYO (JP) 2022-07-14 US disclosed
CN-113874402-A Polar group-containing olefin copolymer 国立大学法人东京大学 2021-12-31 CN disclosed
EP-0891331-B1 N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMA (US) 2003-10-01 EP disclosed
US-5935954-A TREATING THE PATIENT SUFFERING FROM PARKINSON'S DISEASE, ALZHIMER'S DISEASE, STROKE AND ISCHEMIA ASSOCIATED WITH STROKE, NEURAL PAROPATHY, SCIATIC CRUSH, SPINAL CORD INJURY OR FACIAL NERVE CRASH VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-08-10 US disclosed
EP-0891331-A1 N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY Vertex Pharmaceuticals Incorporated (US) 1999-01-20 EP disclosed
US-5717092-A Compounds with improved multi-drug resistance activity VERTEX PHARMACEUTICALS INC. (US) 1998-02-10 US disclosed
WO-1997036869-A1 N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-10-09 WO disclosed
EP-0051273-B1 TRIALKYLAMINE/SULFUR DIOXIDE CATALYZED SULFENYLATION OF CARBAMATES FMC Corporation (US) 1985-01-02 EP disclosed
EP-0051273-A1 Trialkylamine/sulfur dioxide catalyzed sulfenylation of carbamates FMC Corporation (US) 1982-05-12 EP disclosed
US-4329293-A Trialkylamine/sulfur dioxide catalyzed sulfenylation of carbamates FMC CORPORATION (US) 1982-05-11 US disclosed