⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9719753 | 0.89 | — | — | |
| SCHEMBL20767786 | 0.73 | — | — | |
| SCHEMBL20767775 | 0.73 | — | — | |
| SCHEMBL20767760 | 0.71 | — | — | |
| SCHEMBL11271214 | 0.69 | — | — | |
| SCHEMBL10701207 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL9719751 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL9339644 | 0.67 | — | — | |
| SCHEMBL3987120 | 0.67 | — | — | |
| SCHEMBL3843193 | 0.67 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109467504-B | Process for preparing (4Z,7Z) -4, 7-decadien-1-yl acetate | 信越化学工业株式会社 | 2022-04-08 | — | — | CN | disclosed |
| EP-3453699-B1 | PROCESS FOR PREPARING (4Z,7Z)-4,7-DECADIEN-1-YL ACETATE | SHINETSU CHEMICAL CO (JP) | 2020-06-24 | — | — | EP | disclosed |
| EP-3453699-A1 | PROCESS FOR PREPARING (4Z,7Z)-4,7-DECADIEN-1-YL ACETATE | Shin-Etsu Chemical Co., Ltd. (JP) | 2019-03-13 | — | — | EP | disclosed |
| US-20190071385-A1 | PROCESS FOR PREPARING (4Z,7Z)-4,7-DECADIEN-1-YL ACETATE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2019-03-07 | — | — | US | disclosed |
| US-10221123-B1 | Process for preparing (4Z,7Z)-4,7-decadien-1-yl acetate | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2019-03-05 | — | — | US | disclosed |
| EP-0419330-B1 | Method for the preparation of an alkynyl compound | SHINETSU CHEMICAL CO (JP) | 1994-06-01 | — | — | EP | disclosed |
| US-5082961-A | METHOD FOR THE PREPARATION OF AN ALKYNYL COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1992-01-21 | — | — | US | disclosed |
| EP-0419330-A2 | Method for the preparation of an alkynyl compound | Shin-Etsu Chemical Co., Ltd. (JP) | 1991-03-27 | — | — | EP | disclosed |