⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5410668 | 0.80 | CA1 (0.36) | — | |
| SCHEMBL1349494 | 0.79 | CYP3A4 (0.38) | — | |
| SCHEMBL28148311 | 0.79 | — | — | |
| SCHEMBL11763496 | 0.77 | CYP3A4 (0.37) | — | |
| SCHEMBL30567470 | 0.71 | RAPGEF4 (0.38) | — | |
| SCHEMBL823681 | 0.71 | RAPGEF4 (0.38) | — | |
| SCHEMBL23865484 | 0.69 | ACHE (0.33) | — | |
| SCHEMBL11353076 | 0.69 | RAPGEF4 (0.37) | — | |
| SCHEMBL1547843 | 0.69 | ERN1 (0.34) | — | |
| SCHEMBL1548066 | 0.69 | CA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |