⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10812354 | 0.82 | — | — | |
| SCHEMBL9633638 | 0.75 | — | — | |
| SCHEMBL7358651 | 0.71 | — | — | |
| SCHEMBL11483206 | 0.71 | — | — | |
| SCHEMBL1681348 | 0.71 | — | — | |
| SCHEMBL11213861 | 0.71 | — | — | |
| SCHEMBL9501067 | 0.70 | — | — | |
| SCHEMBL6716933 | 0.69 | — | — | |
| SCHEMBL5015737 | 0.68 | — | — | |
| SCHEMBL11480325 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003014115-A1 | 3-SUBSTITUTED PYRROLO (2.1-A) ISOQUINOLINE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2003-02-20 | — | — | WO | disclosed |
| US-4918176-A | SYSTEMIC AND TOPICAL TREATMENT OF DERMATOLOGIC DISORDERS | SOCIETE ANONYME DITE: L'OREAL (FR) | 1990-04-17 | — | — | US | disclosed |