⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23491499 | 0.69 | — | — | |
| SCHEMBL23423399 | 0.63 | — | — | |
| SCHEMBL3828079 | 0.63 | — | — | |
| SCHEMBL8260580 | 0.63 | MAPT (0.39) | — | |
| SCHEMBL19479314 | 0.59 | — | — | |
| SCHEMBL10170305 | 0.58 | HTT (0.38) | — | |
| SCHEMBL10159971 | 0.58 | HTT (0.38) | — | |
| SCHEMBL10160193 | 0.58 | HTT (0.38) | — | |
| SCHEMBL12570330 | 0.58 | LMNA (0.38) | — | |
| SCHEMBL29347772 | 0.58 | ALDH1A1 (0.33) | — |
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-10787446-B2 | Therapeutic compounds and methods of use thereof | GENENTECH, INC. (US) | 2020-09-29 | — | — | US | disclosed |