⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19308850 | 0.83 | RXRA (0.31) | — | |
| SCHEMBL29332958 | 0.78 | RXRA (0.32) | — | |
| SCHEMBL22971697 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL22426188 | 0.73 | — | — | |
| SCHEMBL20666526 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL18910654 | 0.71 | HRH4 (0.32) | — | |
| SCHEMBL21161714 | 0.71 | ALPL (0.39) | — | |
| SCHEMBL24185043 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL26396496 | 0.69 | CYP2D6 (0.32) | — | |
| SCHEMBL24849264 | 0.69 | — | — |
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-20200031801-A1 | THERAPEUTIC HETEROCYCLIC COMPOUNDS | GILEAD SCIENCES, INC. | 2020-01-30 | — | — | US | disclosed |