⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9492049 | 0.86 | ALDH1A1 (0.39) | — | |
| SCHEMBL29378248 | 0.86 | — | — | |
| SCHEMBL9493987 | 0.86 | — | — | |
| SCHEMBL9492279 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL11203336 | 0.85 | — | — | |
| Monoethanolamine SCHEMBL11209929 | 0.81 | — | — | |
| SCHEMBL9493024 | 0.75 | LMNA (0.40) | — | |
| SCHEMBL9492917 | 0.75 | NPC1 (0.30) | — | |
| SCHEMBL9494861 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL11097940 | 0.73 | ALDH1A1 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4290824-A | — | — | None | — | — | JP | disclosed |
| JP-H04290824-A | USE OF CARBAZONE AS NEW ACTIVE INGREDIENT OF MEDICINE | CIBA GEIGY AG | 1992-10-15 | — | — | JP | disclosed |