⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4484818 | 0.81 | — | — | |
| SCHEMBL4484821 | 0.81 | — | — | |
| SCHEMBL17017282 | 0.76 | — | — | |
| SCHEMBL31679616 | 0.76 | — | — | |
| SCHEMBL7521659 | 0.75 | — | — | |
| SCHEMBL7521664 | 0.75 | — | — | |
| SCHEMBL4993501 | 0.72 | DUT (0.32) | — | |
| SCHEMBL7416284 | 0.71 | — | — | |
| SCHEMBL15290275 | 0.71 | — | — | |
| SCHEMBL18092328 | 0.70 | FAAH (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 |
|---|---|---|---|---|---|---|---|
| WO-2000026173-A1 | NOVEL RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE | LIGAND PHARMACEUTICALS INCORPORATED (DE) | 2000-05-11 | — | — | WO | disclosed |
| US-6005007-A | SKIN DISORDERS | LIGAND PHARMACEUTICALS INCORPORATED | 1999-12-21 | — | — | US | disclosed |