⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18773951 | 0.79 | — | — | |
| SCHEMBL15047215 | 0.76 | — | — | |
| SCHEMBL9507353 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL23217312 | 0.71 | — | — | |
| SCHEMBL27376848 | 0.71 | — | — | |
| SCHEMBL23588327 | 0.70 | — | — | |
| SCHEMBL11508923 | 0.70 | — | — | |
| SCHEMBL10196912 | 0.70 | — | — | |
| SCHEMBL29170449 | 0.69 | TP53 (0.32) | — | |
| Diethylamine SCHEMBL8068556 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4590273-A | NEUROLEPTIC HYPOTENSIVE AND ANTIARRHYTHMIC AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-05-20 | — | — | US | disclosed |
| EP-0047923-B1 | ISOQUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-05-09 | — | — | EP | disclosed |