⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2256127 | 0.84 | — | — | |
| SCHEMBL12374280 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL10988638 | 0.82 | SLC6A3 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL27615021 | 0.82 | SLC6A3 (0.46) | — | |
| SCHEMBL8219198 | 0.78 | — | — | |
| SCHEMBL128234 | 0.78 | — | — | |
| SCHEMBL15356506 | 0.78 | — | — | |
| SCHEMBL12951903 | 0.78 | SLC6A3 (0.44) | — | |
| SCHEMBL438278 | 0.78 | — | — | |
| SCHEMBL1053330 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2257160-B1 | DIAMIDE INHIBITORS OF CYTOCHROME P450 | SEQUOIA PHARMACEUTICALS INC (US) | 2017-07-05 | — | — | EP | disclosed |