SCHEMBL145309

SCHEMBL145309

CC(C)(O)C[O]

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
SCHEMBL1350240 0.82
SCHEMBL28907030 0.75
Amylene Hydrate SCHEMBL28076147 0.73
SCHEMBL953460 0.73
SCHEMBL2380330 0.72
SCHEMBL15361 0.70
SCHEMBL16430165 0.70
SCHEMBL2838900 0.70
SCHEMBL28093675 0.70
Tert-Butanol SCHEMBL27380406 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108716-A Benzothiophene compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-05-31 CN claimed
US-20240124474-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2024-04-18 US claimed
US-20240043435-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2024-02-08 US claimed
CN-115715288-A TYK-2 inhibitors 百济神州有限公司 2023-02-24 CN claimed
US-20230023851-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2023-01-26 US claimed
US-11530194-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2022-12-20 US claimed
CN-114573817-A Rapid crosslinking and curing organosilicon material with adjustable interface water contact angle and preparation method and application thereof 杭州师范大学 2022-06-03 CN claimed
US-20220162199-A1 BENZOTHIOPHENE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-05-26 US claimed
WO-2022003575-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-01-06 WO claimed
CN-110023315-B Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2021-11-12 CN claimed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US claimed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US claimed
EP-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP claimed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP claimed
US-6271377-B1 Hydroxy-substituted N-alkoxy hindered amines and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2001-08-07 US claimed
EP-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP claimed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO claimed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 WO claimed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP claimed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO claimed