⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL106307 | 0.89 | CYP1A2 (0.31) | — | |
| SCHEMBL106099 | 0.87 | CYP1A2 (0.33) | — | |
| SCHEMBL2369085 | 0.87 | CYP1A2 (0.33) | — | |
| SCHEMBL108546 | 0.87 | CYP1A2 (0.33) | — | |
| SCHEMBL3700846 | 0.87 | CYP1A2 (0.33) | — | |
| SCHEMBL108154 | 0.85 | — | — | |
| SCHEMBL6048780 | 0.82 | CYP1A2 (0.30) | — | |
| SCHEMBL8445049 | 0.82 | CYP1A2 (0.30) | — | |
| SCHEMBL19816684 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL29249705 | 0.81 | ALDH1A1 (0.30) | — |
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-104302678-A | Process for the preparation of heterophasic propylene polymer compositions | BASELL POLIOLEFINE ITALIA SPA | 2015-01-21 | — | — | CN | disclosed |