⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10903595 | 0.74 | SLC7A5 (0.32) | — | |
| SCHEMBL10906199 | 0.72 | CHRNB2 (0.33) | — | |
| SCHEMBL10906180 | 0.71 | GABRP (0.41) | — | |
| SCHEMBL10906182 | 0.66 | — | — | |
| SCHEMBL26430363 | 0.63 | — | — | |
| SCHEMBL966616 | 0.62 | — | — | |
| SCHEMBL13742150 | 0.62 | TP53 (0.38) | — | |
| SCHEMBL14034686 | 0.62 | TP53 (0.38) | — | |
| SCHEMBL965496 | 0.62 | CA1 (0.38) | — | |
| SCHEMBL812166 | 0.61 | TP53 (0.57) | — |
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-4633014-A | ANTIARRHYTHMIA AGENTS | INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR | 1986-12-30 | — | — | US | disclosed |