⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4445327 | 1.00 | — | — | |
| SCHEMBL83800 | 1.00 | — | — | |
| SCHEMBL19637943 | 0.96 | — | — | |
| SCHEMBL421767 | 0.79 | — | — | |
| SCHEMBL125384 | 0.79 | — | — | |
| SCHEMBL16991386 | 0.79 | — | — | |
| SCHEMBL8813215 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL1896962 | 0.76 | — | — | |
| SCHEMBL9149999 | 0.76 | — | — | |
| SCHEMBL30083816 | 0.76 | — | — |
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-111348994-B | Process for preparing 4-methyl-5-nonene and 4-methyl-5-nonanol | 信越化学工业株式会社 | 2023-10-27 | — | — | CN | disclosed |
| EP-3670484-B1 | PROCESSES FOR PREPARING 4-METHYL-5-NONANONE AND 4-METHYL-5-NONANOL | SHINETSU CHEMICAL CO (JP) | 2022-03-02 | — | — | EP | disclosed |
| US-10882806-B2 | Processes for preparing 4-methyl-5-nonanone and 4-methyl-5-nonanol | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-01-05 | — | — | US | disclosed |
| CN-111348994-A | Process for preparing 4-methyl-5-nonanone and 4-methyl-5-nonanol | 信越化学工业株式会社 | 2020-06-30 | — | — | CN | disclosed |
| US-20200199053-A1 | PROCESSES FOR PREPARING 4-METHYL-5-NONANONE AND 4-METHYL-5-NONANOL | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2020-06-25 | — | — | US | disclosed |
| EP-3670484-A1 | PROCESSES FOR PREPARING 4-METHYL-5-NONANONE AND 4-METHYL-5-NONANOL | Shin-Etsu Chemical Co., Ltd. (JP) | 2020-06-24 | — | — | EP | disclosed |
| US-7632666-B2 | Method of production of optically active halohydrocarbons and alcohols using hydrolytic dehalogenation catalysed by haloalkane dehalogenases | MASARYKOVA UNIVERZITA V BRNE (CZ) | 2009-12-15 | — | — | US | disclosed |
| US-20080102501-A1 | METHOD OF PRODUCTION OF OPTICALLY ACTIVE HALOHYDROCARBONS AND ALCOHOLS USING HYDROLYTIC DEHALOGENATION CATALYSED BY HALOALKANE DEHALOGENASES | MASARYKOVA UNIVERZITA V BRNE (CZ) | 2008-05-01 | — | — | US | disclosed |