⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13804028 | 0.77 | — | — | |
| SCHEMBL14982710 | 0.73 | — | — | |
| SCHEMBL26992844 | 0.71 | — | — | |
| SCHEMBL942792 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6177309 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL14616479 | 0.69 | — | — | |
| SCHEMBL14227843 | 0.68 | — | — | |
| SCHEMBL14302891 | 0.68 | ACHE (0.32) | — | |
| SCHEMBL24775831 | 0.68 | ALOX15 (0.34) | — | |
| Hydrochloric Acid SCHEMBL10587035 | 0.67 | SMN1; SMN2 (0.35) | — |
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-20220388999-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | BIAL PORTELA & CA SA (PT) | 2022-12-08 | — | — | US | disclosed |