⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12762365 | 0.79 | NOS3 (0.38) | — | |
| SCHEMBL11664522 | 0.75 | — | — | |
| SCHEMBL329231 | 0.75 | — | — | |
| SCHEMBL3498827 | 0.70 | — | — | |
| SCHEMBL3664692 | 0.69 | TP53 (0.39) | — | |
| SCHEMBL444695 | 0.68 | — | — | |
| SCHEMBL142379 | 0.67 | — | — | |
| SCHEMBL9835844 | 0.67 | — | — | |
| SCHEMBL9864890 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL883443 | 0.65 | — | — |
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-112368143-B | Laminate body | 住友化学株式会社 | 2023-08-08 | — | — | CN | disclosed |
| US-20140018460-A1 | COMPOSITIONS FOR IMPROVING POLYESTERS | NEXAM CHEMICAL AB (SE) | 2014-01-16 | — | — | US | disclosed |