SCHEMBL398749

SCHEMBL398749

[C]#CCc1ccccc1

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
SCHEMBL2224 0.77
SCHEMBL3888886 0.75 CALM1 (0.50)
SCHEMBL219176 0.75 ALDH1A1 (0.53)
SCHEMBL28377926 0.74 CALM1 (0.50)
SCHEMBL29073219 0.74 CALM1 (0.50)
SCHEMBL18245048 0.72 TAAR1 (0.42)
SCHEMBL18244871 0.72 CYP3A4 (0.41)
SCHEMBL18244863 0.72 IDO1 (0.46)
SCHEMBL1610874 0.72 CYP2A6 (0.46)
SCHEMBL1610346 0.72 ALDH1A1 (0.48)

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 1028 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148769-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CORONAVIRUS DISEASE 19, CONTAINING CARBOCYCLIC NUCLEOSIDE DERIVATIVE FUTURE MEDICINE CO., LTD. (KR) 2024-05-09 US claimed
EP-4272747-A1 PHARMACEUTICAL COMPOSITION CONTAINING CARBOCYCLIC NUCLEOSIDE DERIVATIVE FOR PREVENTION AND TREATMENT OF CORONAVIRUS DISEASE 19 Future Medicine Co., Ltd. (KR) 2023-11-08 EP claimed
CN-116940366-A Pharmaceutical composition for preventing and treating novel coronavirus pneumonia comprising carbocyclic nucleoside derivatives 未来制药有限公司 2023-10-24 CN claimed
CN-107486140-A Attapulgite adsorbing material for solidifying chromium in river bottom mud and preparation method thereof 北京清水润土环保科技有限公司 2017-12-19 CN claimed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US claimed
EP-2658862-A1 SPIROANNULATED NUCLEOSIDES AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-11-06 EP claimed
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US claimed
US-8450525-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-05-28 US claimed
WO-2012090155-A1 SPIROANNULATED NUCLEOSIDES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-07-05 WO claimed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US claimed
EP-1899315-A1 BENZOFURANONE DERIVATIVES AS NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS Schering Aktiengesellschaft (DE) 2008-03-19 EP claimed
US-20070142464-A1 Nonsteroidal progesterone receptor modulators SCHERING AG (DE) 2007-06-21 US claimed
US-20070010514-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-11 US claimed
WO-2006136462-A1 BENZOFURANONE DERIVATIVES AS NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
WO-2006136461-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
US-20050043181-A1 Carbamoyl triazolinone-based herbicides FEUCHT DIETER (DE) 2005-02-24 US claimed
US-6114520-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US claimed
EP-0757041-B1 Process for the preparation of substituted aminocarbonyltriazolinones BAYER AG (DE) 2000-05-03 EP claimed
EP-0784431-B1 SYNERGISTIC ACTIVE SUBSTANCE HERBICIDE COMBINATIONS WITH 1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-5-(2-CHLOROPROPIONAMIDO)-4-NITROPYRAZOL BAYER AG (DE) 2000-03-08 EP claimed
WO-1998046232-A1 MUSCARINIC AGONISTS THE UNIVERSITY OF TOLEDO (US) 1998-10-22 WO claimed