SCHEMBL696060

SCHEMBL696060

CCc1cccc[n+]1[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
SCHEMBL29457179 1.00
SCHEMBL2552339 0.82 ALDH1A1 (0.46)
SCHEMBL5234381 0.79 KCNH2 (0.46)
SCHEMBL904632 0.78
SCHEMBL3942383 0.77 ALDH1A1 (0.42)
SCHEMBL4928593 0.77 KCNH2 (0.53)
SCHEMBL904420 0.76
SCHEMBL1046165 0.76
Hydrochloric Acid SCHEMBL4254927 0.76 ALDH1A1 (0.48)
SCHEMBL31703749 0.76

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
WO-2025059054-A1 PROCESS FOR PREPARING (2S,4S,4'S,6S)-2-METHYL-6-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-2',-(TRIELUOROMETHYL)-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO [2,3-C] PYRAN] -4'-OL VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-03-20 WO claimed
WO-2025059054-A1 PROCESS FOR PREPARING (2S,4S,4'S,6S)-2-METHYL-6-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-2',-(TRIELUOROMETHYL)-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO [2,3-C] PYRAN] -4'-OL VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-03-20 WO disclosed
CN-114533625-A Anti-hair-loss hair-growing liquid and preparation method thereof 深圳市璞发生物科技有限公司 2022-05-27 CN disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 EP disclosed
EP-3134414-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2017-03-01 EP disclosed
EP-2421846-B1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
EP-2421846-B1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
EP-1272488-B1 TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2006-03-22 EP disclosed
US-6887646-B1 Chemical amplification resist composition MITSUBISHI RAYON CO., LTD. (JP) 2005-05-03 US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
WO-2005012323-A2 COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS TRIGEN LIMITED (GB) 2005-02-10 WO disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
EP-1272488-A2 TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2003-01-08 EP disclosed
EP-1209525-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION Mitsubishi Rayon Co., Ltd. (JP) 2002-05-29 EP disclosed
WO-2001070738-A2 TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO disclosed
US-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 US disclosed