⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10575232 | 1.00 | — | — | |
| SCHEMBL10934698 | 0.86 | RAB9A (0.33) | — | |
| SCHEMBL11039535 | 0.86 | RAB9A (0.33) | — | |
| SCHEMBL10547245 | 0.81 | LMNA (0.36) | — | |
| SCHEMBL10689537 | 0.79 | HTT (0.33) | — | |
| SCHEMBL10574259 | 0.79 | HTT (0.33) | — | |
| SCHEMBL10549805 | 0.78 | PPM1B (0.33) | — | |
| SCHEMBL10574983 | 0.78 | — | — | |
| SCHEMBL11039158 | 0.77 | — | — | |
| SCHEMBL10576880 | 0.77 | — | — |
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-4732903-A | MITICIDES | ROUSSEL UCLAF (FR) | 1988-03-22 | — | — | US | disclosed |