⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28805616 | 0.82 | — | — | |
| SCHEMBL27794981 | 0.82 | CYP26B1 (0.33) | — | |
| SCHEMBL27875271 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL27387441 | 0.81 | PPARA (0.30) | — | |
| SCHEMBL27446644 | 0.80 | — | — | |
| SCHEMBL28124927 | 0.80 | — | — | |
| SCHEMBL27475943 | 0.80 | — | — | |
| SCHEMBL28069778 | 0.79 | — | — | |
| SCHEMBL27448536 | 0.79 | — | — | |
| SCHEMBL27672788 | 0.78 | — | — |
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-101007815-B | Pyrrolehexa-heterocyclic compound and pharmaceutical use thereof | JIANGSU HENGRUI MEDICINE CO | 2010-06-23 | — | — | CN | disclosed |
| CN-101007815-A | Pyrrolehexa-heterocyclic compound and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD (CN) | 2007-08-01 | — | — | CN | disclosed |