⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27506271 | 0.75 | — | — | |
| SCHEMBL27371640 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL10666855 | 0.71 | — | — | |
| SCHEMBL15689970 | 0.71 | — | — | |
| Benzene SCHEMBL28097799 | 0.70 | — | — | |
| SCHEMBL8599929 | 0.70 | — | — | |
| SCHEMBL27857942 | 0.68 | — | — | |
| SCHEMBL27672394 | 0.68 | NFKB1 (0.33) | — | |
| SCHEMBL6529026 | 0.68 | — | — | |
| Naphthalene SCHEMBL28191342 | 0.67 | CES2 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113106074-B | Mutant for catalyzing hydroxylation of alkylbenzene such as ethylbenzene and derivatives and application thereof | 中国科学院青岛生物能源与过程研究所 | 2022-11-29 | — | — | CN | disclosed |
| CN-113106074-A | Mutant for catalyzing hydroxylation of alkylbenzene such as ethylbenzene and derivatives and application thereof | 中国科学院青岛生物能源与过程研究所 | 2021-07-13 | — | — | CN | disclosed |