⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL819336 | 0.88 | TDP1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL10707472 | 0.86 | TGFBR1 (0.33) | — | |
| Acrylamide SCHEMBL28161965 | 0.85 | ALDH1A1 (0.38) | — | |
| Vinyl Ether SCHEMBL28166136 | 0.73 | — | — | |
| SCHEMBL3232710 | 0.72 | TGFBR1 (0.36) | — | |
| SCHEMBL13862890 | 0.72 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL321577 | 0.70 | TGFBR1 (0.35) | — | |
| SCHEMBL1932713 | 0.69 | TGFBR1 (0.32) | — | |
| SCHEMBL163137 | 0.69 | GRM4 (0.33) | — | |
| SCHEMBL5693540 | 0.69 | KDM4E (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104004248-B | Resin combination and the multilayer structure making using it | 可乐丽股份有限公司 | 2017-08-04 | — | — | CN | disclosed |