⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4827310 | 1.00 | — | — | |
| SCHEMBL22011075 | 0.77 | — | — | |
| SCHEMBL11814781 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL11814776 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL10404804 | 0.77 | — | — | |
| SCHEMBL10404803 | 0.77 | — | — | |
| SCHEMBL29939174 | 0.77 | ATM (0.39) | — | |
| SCHEMBL15720369 | 0.75 | — | — | |
| SCHEMBL6905714 | 0.75 | — | — | |
| SCHEMBL11137013 | 0.75 | TSHR (0.41) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7323589-B2 | Intermediates for use in retinoid synthesis | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2008-01-29 | — | — | US | disclosed |
| US-7148372-B2 | Intermediates for use in retinoid synthesis | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2006-12-12 | — | — | US | disclosed |
| US-20060135808-A1 | Novel intermediates for use in retinoid synthesis | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2006-06-22 | — | — | US | disclosed |
| US-20060106245-A1 | 1,1-bis(alkoxycarbonyl)-omega-tert-amino branched chain alkenes or conjugated polyenes; especially for the synthesis of retinoic acid, vitamin A (retinol), retinal, retinonitrile and etretinate | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2006-05-18 | — | — | US | disclosed |
| US-7009069-B2 | Intermediates for use in retinoid synthesis | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2006-03-07 | — | — | US | disclosed |
| EP-1328506-B1 | INTERMEDIATES FOR USE IN RETINOID SYNTHESIS | CENTRE NAT RECH SCIENT (FR) | 2004-12-29 | — | — | EP | disclosed |
| US-20040132796-A1 | Novel intermediates for use in retinoid synthesis | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2004-07-08 | — | — | US | disclosed |
| EP-0919547-B1 | Preparation of polyenaldehydes | HOFFMANN LA ROCHE (CH) | 2002-06-05 | — | — | EP | disclosed |
| EP-0806405-A1 | Process for the preparation of hexahydrofarnesylacetone from 6,7-dihydrogeraniol and intermediates for their production | BASF AKTIENGESELLSCHAFT (DE) | 1997-11-12 | — | — | EP | disclosed |
| US-4474983-A | Process for preparing compounds having a 1,5-dimethyl-hexa-1,5-dienylene group by desulphonylation of a corresponding sulphone | RHONE-POULENC S.A. (FR) | 1984-10-02 | — | — | US | disclosed |
| US-4433171-A | Sulphones having a 1,5-dimethyl-hexa-1,5-dienylene group | RHONE-POULENC S.A. (FR) | 1984-02-21 | — | — | US | disclosed |
| US-4331814-A | Sulphones having a 1,5-dimethyl-hexa-1,5-dienylene group | RHONE POULENC S.A. (FR) | 1982-05-25 | — | — | US | disclosed |