SCHEMBL3889274

SCHEMBL3889274

C[CH]CCC(CC)CC

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
SCHEMBL3885353 0.86 ALDH1A1 (0.32)
SCHEMBL1447691 0.82 ALDH1A1 (0.39)
SCHEMBL3884491 0.82 ALDH1A1 (0.50)
SCHEMBL3891552 0.80 ALDH1A1 (0.37)
SCHEMBL28277714 0.80 ALDH1A1 (0.43)
SCHEMBL28823891 0.80
SCHEMBL28154741 0.78 LMNA (0.46)
SCHEMBL28161676 0.78 LMNA (0.46)
SCHEMBL377895 0.78 LMNA (0.46)
SCHEMBL28154762 0.78 LMNA (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US claimed
CN-115917045-A Method for providing corrosion protection to pressurized water-steam systems 栗田工业株式会社 2023-04-04 CN disclosed
CN-115417791-A Oxime ether 1,3-cyclohexanedione compound and synthetic method and application thereof 郑州手性药物研究院有限公司 2022-12-02 CN disclosed
EP-1756271-B1 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM 2,2-DISUBSTITUTED EPOXIDES CSIR (ZA) 2015-12-09 EP disclosed
EP-1753862-B1 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM MESO-EPOXIDES CSIR (ZA) 2015-11-18 EP disclosed
CN-102191036-A Organic photoelectric material containing nitrogen thiophene, manufacturing method and application thereof OCEANS KING LIGHTING SCIENCE 2011-09-21 CN disclosed
US-20090149584-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF AKTIENGESELLSCHAFT (DE) 2009-06-11 US disclosed
CN-101426843-A Use of hexahydrophthalimide combinations as softener BASF SE (DE) 2009-05-06 CN disclosed
EP-2013278-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF SE (DE) 2009-01-14 EP disclosed
US-20080286832-A1 Methods for Obtaining Optically Active Epoxides and Vicinal Diols From 2,2-Disubstituted Epoxides COUNCIL FOR SCIENTIFIC AND INDUSTRIAL RESEARCH (ZA) 2008-11-20 US disclosed
US-4206076-A STABILIZERS AGAINST HEAT, LIGHT, OR OXYGEN SANDOZ LTD. (CH) 1980-06-03 US disclosed
EP-0010298-A1 1,2,4-Triazol-1-yl compounds, their preparation, fungicides, method for their preparation and method for combating fungi BASF Aktiengesellschaft (DE) 1980-04-30 EP disclosed
US-4200743-A Preparation of 1-cyano-2,1,3-benzothiadiazinones BASF AKTIENGESELLSCHAFT (DE) 1980-04-29 US disclosed
EP-0008368-A1 Method for preparing cyano compounds BASF Aktiengesellschaft (DE) 1980-03-05 EP disclosed
US-4158559-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1979-06-19 US disclosed
US-4107138-A Phosphonous and thiophosphonous acid ethers as stabilizers for organic materials SANDOZ LTD. (CH) 1978-08-15 US disclosed
US-4075004-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1978-02-21 US disclosed
US-3987097-A INCREASING AFFINITY FOR ANIONIC DYES SANDOZ LTD. (CH) 1976-10-19 US disclosed
US-3948946-A Cyclic acetals and mercaptals SANDOZ LTD., (SANDOZ AG) (CH) 1976-04-06 US disclosed
US-3936479-A 2-BENZAMIDO-BENZOPHENONES, UV STABILIZERS, PLASTICS SANDOZ LTD., (SANDOZ AG) (CH) 1976-02-03 US disclosed