SCHEMBL115473

SCHEMBL115473

Cc1cc(C)c(C)s1

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
Acetic Acid SCHEMBL10681151 0.84 DAO (0.56)
SCHEMBL28837188 0.79 GSK3A (0.46)
SCHEMBL12537249 0.77 MAPT (0.34)
SCHEMBL13711884 0.75 ESR1 (0.37)
SCHEMBL12537268 0.75 ESR1 (0.37)
SCHEMBL2183703 0.75
SCHEMBL147917 0.75
SCHEMBL12537265 0.73 ESR1 (0.33)
SCHEMBL10001311 0.73 MAPT (0.44)
SCHEMBL7194664 0.73 ALDH1A1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109233933-A A kind of energy-saving and environment-friendly smokeless fuel 米娜 2019-01-18 CN claimed
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US claimed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US claimed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP claimed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 WO claimed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
EP-4329463-A2 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2024-02-28 EP disclosed
EP-4001287-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2024-01-17 EP disclosed
EP-4289823-A1 SUBSTITUTED PYRIDAZINE PHENOL DERIVATIVES Medshine Discovery Inc. (CN) 2023-12-13 EP disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11839155-B2 Organic semiconducting compounds RAYNERGY TEK INC. (TW) 2023-12-05 US disclosed
EP-0725126-B1 Process for desulfurizing catalytically cracked gasoline NIPPON MITSUBISHI OIL CORP (JP) 2000-08-09 EP disclosed
EP-0725126-A1 Process for desulfurizing catalytically cracked gasoline MITSUBISHI OIL CO., LTD. (JP) 1996-08-07 EP disclosed
US-4992534-A Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-12 US disclosed
US-4256878-A THIENYL COMPOUNDS, ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-03-17 US disclosed
US-4230872-A ANTITUMOR AGENTS, THIENYL-3,7-DIMETHYLNONA-2,4,6,8-TETRAENE HOFFMANN-LA ROCHE INC. (US) 1980-10-28 US disclosed
US-4116975-A 9-THIENYL-3,7-DIMETHYLNONA-2,4,6,8-TETRAENES, ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1978-09-26 US disclosed
US-4061656-A ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1977-12-06 US disclosed
US-3994724-A SUBSTITUTED ANILINE PHOTOCONDUCTOR SCOTT PAPER COMPANY (US) 1976-11-30 US disclosed