⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4947043 | 0.78 | — | — | |
| SCHEMBL21670634 | 0.73 | — | — | |
| SCHEMBL20658203 | 0.72 | — | — | |
| SCHEMBL395923 | 0.69 | — | — | |
| SCHEMBL14085281 | 0.67 | — | — | |
| SCHEMBL21670613 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9812336 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL9812340 | 0.65 | — | — | |
| SCHEMBL1479095 | 0.63 | — | — | |
| SCHEMBL15125415 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110818523-B | Process for preparing 5-en-1-ynes and compounds derived therefrom | 信越化学工业株式会社 | 2023-05-02 | — | — | CN | disclosed |
| EP-3608302-B1 | PROCESS FOR PREPARING A 5-ALKEN-1-YNE COMPOUND, (6Z)-1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND, (2E,6Z)-2,6-NONADIENAL AND (2E)-CIS-6,7-EPOXY-2-NONENAL, AND 1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND | SHINETSU CHEMICAL CO (JP) | 2021-10-20 | — | — | EP | disclosed |
| US-10781146-B2 | Process for preparing a 5-alken-1-yne compound, (6Z)-1,1-dialkoxy-6-nonen-2-yne compound, (2E,6Z)-2,6-nonadienal and (2E)-cis-6,7-epoxy-2-nonenal, and 1,1-dialkoxy-6-nonen-2-yne compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2020-09-22 | — | — | US | disclosed |
| CN-110818523-A | Process for preparing 5-en-1-ynes and their derivatives and 1, 1-dialkoxy-6-nonene-2-ynes | 信越化学工业株式会社 | 2020-02-21 | — | — | CN | disclosed |
| US-20200048161-A1 | PROCESS FOR PREPARING A 5-ALKEN-1-YNE COMPOUND, (6Z)-1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND, (2E,6Z)-2,6-NONADIENAL AND (2E)-CIS-6,7-EPOXY-2-NONENAL, AND 1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2020-02-13 | — | — | US | disclosed |
| EP-3608302-A1 | PROCESS FOR PREPARING A 5-ALKEN-1-YNE COMPOUND, (6Z)-1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND, (2E,6Z)-2,6-NONADIENAL AND (2E)-CIS-6,7-EPOXY-2-NONENAL, AND 1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND | Shin-Etsu Chemical Co., Ltd. (JP) | 2020-02-12 | — | — | EP | disclosed |