⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31163959 | 0.66 | — | — | |
| SCHEMBL562630 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL22972963 | 0.66 | — | — | |
| SCHEMBL23767850 | 0.65 | — | — | |
| SCHEMBL7876604 | 0.65 | PDE3B (0.43) | — | |
| SCHEMBL8994244 | 0.64 | PDE3B (0.42) | — | |
| SCHEMBL23767835 | 0.63 | — | — | |
| SCHEMBL23767833 | 0.63 | — | — | |
| SCHEMBL23767832 | 0.63 | — | — | |
| SCHEMBL9171997 | 0.63 | ESR2 (0.53) | — |
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-20210252152-A1 | NEAR-INFRARED (NIR) ABSORBING PHOTOSENSITIZERS | ORTA DOGU TEKNIK UNIVERSITESI (TR) | 2021-08-19 | — | — | US | disclosed |