⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3911847 | 1.00 | — | — | |
| SCHEMBL3911850 | 1.00 | — | — | |
| SCHEMBL11792056 | 0.97 | FAAH (0.54) | — | |
| SCHEMBL4180633 | 0.97 | — | — | |
| SCHEMBL10735923 | 0.97 | — | — | |
| SCHEMBL25225078 | 0.97 | FAAH (0.54) | — | |
| SCHEMBL5958537 | 0.97 | FAAH (0.54) | — | |
| SCHEMBL25259111 | 0.97 | FAAH (0.54) | — | |
| SCHEMBL25261097 | 0.97 | FAAH (0.54) | — | |
| SCHEMBL10822371 | 0.97 | FAAH (0.54) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0770685-B1 | Process for the preparation of trans-2, cis-4-decadienic acid ethylester | HAARMANN & REIMER GMBH (DE) | 2001-04-04 | — | — | EP | disclosed |
| US-5753473-A | TRANSESTERIFICATION OF OTHER ESTERS WITH LIPASE FROM CANDIDA ANTARCTICA IN PRESENCE OF ETHANOL | HAARMANN & REIMER GMBH (DE) | 1998-05-19 | — | — | US | disclosed |
| EP-0770685-A1 | Process for the preparation of trans-2, cis-4-decadienic acid ethylester | HAARMANN & REIMER GMBH (DE) | 1997-05-02 | — | — | EP | disclosed |
| US-4014951-A | BY REACTING A QUATERNARY PHOSPHONIUM SALT WITH HEXANAL | FIRMENICH S.A. (CH) | 1977-03-29 | — | — | US | disclosed |
| US-3960977-A | UNDECA-1,3,5-TRIENE FROM QUATERNARY PHOSPHONIUM SALT AND HEXANAL | FIRMENICH S.A. (CH) | 1976-06-01 | — | — | US | disclosed |
| US-3953377-A | Ethyl-2-trans-4-cis undecadienoate, ethyl-2-trans-4-cis dodecadienoate and ethyl-2-decadienoate perfume compositions | FIRMENICH S.A. (CH) | 1976-04-27 | — | — | US | disclosed |