⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3818112 | 0.87 | TSHR (0.43) | — | |
| SCHEMBL27853971 | 0.85 | DGKA (0.38) | — | |
| SCHEMBL11401849 | 0.85 | DGKA (0.38) | — | |
| SCHEMBL27788612 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL28958898 | 0.77 | CES1 (0.43) | — | |
| SCHEMBL29350367 | 0.77 | CES1 (0.43) | — | |
| SCHEMBL27853972 | 0.77 | TSHR (0.52) | — | |
| Ammonia Solution, Strong SCHEMBL30567344 | 0.77 | CES1 (0.43) | — | |
| SCHEMBL27615017 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL8267112 | 0.77 | ALDH1A1 (0.39) | — |
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-0272692-A2 | Condensation copolymers containing bis-methine moieties and products therefrom | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1988-06-29 | — | — | EP | disclosed |