⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6328814 | 0.91 | LMNA (0.50) | — | |
| SCHEMBL4395 | 0.91 | — | — | |
| Phosphine SCHEMBL3417770 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL28286260 | 0.87 | — | — | |
| Water SCHEMBL7434763 | 0.87 | — | — | |
| SCHEMBL28555068 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL989724 | 0.87 | — | — | |
| Bromide SCHEMBL5485388 | 0.87 | — | — | |
| Butane SCHEMBL27801273 | 0.85 | — | — | |
| Methoxymethane SCHEMBL9559794 | 0.85 | LMNA (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-0005745-B1 | PYRAZOLO (3,4-C) AND THIAZOLO (5,4-C) ISOQUINOLINES, METHODS FOR PREPARING THEM, THESE COMPOUNDS FOR USE AS ANTIINFLAMMATORY, CNS-DEPRESSANT AND ANTI-ANXIETY AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF | GRUPPO LEPETIT S.P.A. (IT) | 1982-07-14 | — | — | EP | disclosed |