⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL147275 | 0.73 | — | — | |
| SCHEMBL1538763 | 0.72 | KIF11 (0.41) | — | |
| SCHEMBL3098976 | 0.71 | CYP2A6 (0.42) | — | |
| SCHEMBL3108225 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL2069777 | 0.71 | TSHR (0.50) | — | |
| SCHEMBL95798 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL52644 | 0.71 | TSHR (0.55) | — | |
| SCHEMBL3103454 | 0.69 | KCNN4 (0.37) | — | |
| SCHEMBL3103756 | 0.69 | TSHR (0.46) | — | |
| SCHEMBL11051817 | 0.69 | CYP2A6 (0.57) | — |
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-1294129-C | Heteraryl-substituted porrole derivatives, their prep. and therapeutic use | SANKYO CO (JP) | 2007-01-10 | — | — | CN | disclosed |
| US-4111933-A | PROTECTION OF FUNCTIONAL GROUPS DURING REACTION AND THEIR SUBSEQUENT RESTORATION | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-05 | — | — | US | disclosed |