⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1410196 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL14768883 | 0.66 | — | — | |
| SCHEMBL16501168 | 0.65 | — | — | |
| SCHEMBL17366434 | 0.59 | — | — | |
| SCHEMBL1410107 | 0.54 | LPO (0.36) | — | |
| SCHEMBL1410192 | 0.50 | TERT (0.46) | — | |
| SCHEMBL14627758 | 0.49 | ESR1 (0.42) | — | |
| SCHEMBL2793396 | 0.49 | ESR1 (0.58) | — | |
| SCHEMBL27306734 | 0.49 | ESR1 (0.42) | — | |
| SCHEMBL17366426 | 0.49 | GCGR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120214780-A1 | SUBSTITUTED PORPHYRINS | AEOLUS SCIENCES, INC. (US) | 2012-08-23 | — | — | US | disclosed |