SCHEMBL134231

SCHEMBL134231

C=CC(C)(C)OC

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
SCHEMBL9843490 0.77 ALDH1A1 (0.43)
SCHEMBL9843489 0.77 ALDH1A1 (0.43)
SCHEMBL525779 0.76 ALDH1A1 (0.30)
SCHEMBL9655855 0.74 TSHR (0.31)
SCHEMBL461303 0.74 L3MBTL1 (0.30)
SCHEMBL1790204 0.71
SCHEMBL8649763 0.71
SCHEMBL4185614 0.71
SCHEMBL118888 0.69
SCHEMBL10818675 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114527210-B Method for monitoring acid rot diseases in citrus storage and transportation process 浙江大学 2022-10-21 CN claimed
CN-114527210-A Method for monitoring acid rot disease in orange storage and transportation process 浙江大学 2022-05-24 CN claimed
US-10908162-B2 Methods related to volatile compounds in genitourinary cancers THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-02 US claimed
US-20190128890-A1 METHODS RELATED TO VOLATILE COMPOUNDS IN GENITOURINARY CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-02 US claimed
US-4322561-A COMPRISING REACTING AN OLEFIN AND A KETONE IN THE PRESENCE OF AN AMINE AND MANGANESE ACETATE ANIO S.P.A. (IT) 1982-03-30 US claimed
JP-56110628-A None JP disclosed
EP-3681875-B1 CYCLIC PEPTIDE ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2026-01-14 EP disclosed
CN-111148739-B Cyclic peptide antibiotics 豪夫迈·罗氏有限公司 2025-06-03 CN disclosed
CN-114527210-B Method for monitoring acid rot diseases in citrus storage and transportation process 浙江大学 2022-10-21 CN disclosed
CN-114527210-B Method for monitoring acid rot diseases in citrus storage and transportation process 浙江大学 2022-10-21 CN disclosed
CN-114527210-A Method for monitoring acid rot disease in orange storage and transportation process 浙江大学 2022-05-24 CN disclosed
CN-114527210-A Method for monitoring acid rot disease in orange storage and transportation process 浙江大学 2022-05-24 CN disclosed
EP-0373556-A2 Sandalwood odorants BASF K &amp; F Corporation (US) 1990-06-20 EP disclosed
US-4891447-A ACYCLIC ETHER ALDEHYDE INTERMEDIATES BASF K&F CORPORATION (US) 1990-01-02 US disclosed
EP-0284005-A2 Method of production of polyolefins IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-28 EP disclosed
EP-0030109-B1 PROCESS FOR PRODUCING ISOPRENE KURARAY CO., LTD. (JP) 1983-10-05 EP disclosed
US-4381416-A Process for producing isoprene KURARAY CO., LTD. (JP) 1983-04-26 US disclosed
US-4322561-A COMPRISING REACTING AN OLEFIN AND A KETONE IN THE PRESENCE OF AN AMINE AND MANGANESE ACETATE ANIO S.P.A. (IT) 1982-03-30 US disclosed
JP-S56110628-A STABILIZER COMPOSITION FOR 1,1,1-TRICHLOROETHANE KURARAY CO LTD 1981-09-01 JP disclosed
EP-0030109-A1 Process for producing isoprene KURARAY CO., LTD. (JP) 1981-06-10 EP disclosed