⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3588443 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL10963692 | 0.81 | ALDH1A1 (0.52) | — | |
| SCHEMBL27768690 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL17085768 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL28393816 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL4254370 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL7197331 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL28460835 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL8844668 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL10021922 | 0.73 | ALDH1A1 (0.70) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109879543-B | Rural centralized domestic sewage treatment method | 江苏信环生态环境治理有限公司 | 2021-12-14 | — | — | CN | claimed |
| CN-116063623-A | Preparation method of hyperbranched polymer for drilling fluid and drilling fluid | 中石化石油工程技术服务有限公司 | 2023-05-05 | — | — | CN | disclosed |
| CN-107876217-B | A kind of more metals vulcanization molybdenum ore collecting agent and the preparation method and application thereof | 昆明冶金研究院 | 2019-07-09 | — | — | CN | disclosed |
| CN-108892745-A | A kind of synthetic phospholipid and preparation method thereof with close supercritical carbon dioxide performance | 东南大学 | 2018-11-27 | — | — | CN | disclosed |
| CN-107876217-A | A kind of more metal vulcanization molybdenum ore high-efficient collecting agents and preparation method and application | 昆明冶金研究院 | 2018-04-06 | — | — | CN | disclosed |
| US-5663164-A | CEPHALOSPORIN ANTIBIOTICS AS BACTERICIDES | ROUSSEL UCLAF (FR) | 1997-09-02 | — | — | US | disclosed |
| US-4229578-A | BY REACTION OF ACID HALIDES AND XANTHATES | MONSANTO COMPANY (US) | 1980-10-21 | — | — | US | disclosed |