⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL471809 | 0.97 | — | — | |
| SCHEMBL28107205 | 0.75 | CA1 (0.45) | — | |
| SCHEMBL14602162 | 0.73 | HSD17B10 (0.57) | — | |
| SCHEMBL29212132 | 0.73 | — | — | |
| SCHEMBL5528595 | 0.72 | — | — | |
| SCHEMBL374667 | 0.72 | — | — | |
| SCHEMBL20514349 | 0.72 | MAPK1 (0.50) | — | |
| SCHEMBL5524685 | 0.72 | — | — | |
| SCHEMBL10073780 | 0.72 | — | — | |
| SCHEMBL35798 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115874442-A | Nano ATO modified antistatic agent for spinning oil and preparation method thereof | 科凯精细化工（上海）有限公司 | 2023-03-31 | — | — | CN | claimed |
| CN-108547149-B | Preparation method of antistatic agent for spinning oil | 科凯精细化工（上海）有限公司 | 2021-05-04 | — | — | CN | claimed |
| CN-115874442-A | Nano ATO modified antistatic agent for spinning oil and preparation method thereof | 科凯精细化工（上海）有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-115874442-A | Nano ATO modified antistatic agent for spinning oil and preparation method thereof | 科凯精细化工（上海）有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-108547149-B | Preparation method of antistatic agent for spinning oil | 科凯精细化工（上海）有限公司 | 2021-05-04 | — | — | CN | disclosed |