⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27926471 | 0.98 | — | — | |
| SCHEMBL27737407 | 0.98 | — | — | |
| SCHEMBL27758144 | 0.98 | — | — | |
| SCHEMBL27539060 | 0.95 | — | — | |
| SCHEMBL28425293 | 0.88 | — | — | |
| SCHEMBL10539415 | 0.86 | — | — | |
| SCHEMBL28586993 | 0.84 | — | — | |
| SCHEMBL28939437 | 0.81 | SCN2A (0.31) | — | |
| SCHEMBL28775884 | 0.81 | — | — | |
| SCHEMBL28420957 | 0.81 | — | — |
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-111235896-A | Organosilicon softening deepening agent, preparation method thereof and emulsion thereof | 宁波润禾高新材料科技股份有限公司 | 2020-06-05 | — | — | CN | claimed |
| CN-111235896-A | Organosilicon softening deepening agent, preparation method thereof and emulsion thereof | 宁波润禾高新材料科技股份有限公司 | 2020-06-05 | — | — | CN | disclosed |