⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6512660 | 0.82 | — | — | |
| SCHEMBL6510367 | 0.77 | KDM1A (0.30) | — | |
| SCHEMBL14150160 | 0.75 | — | — | |
| SCHEMBL7598017 | 0.75 | — | — | |
| SCHEMBL28221025 | 0.67 | CHRNA7 (0.32) | — | |
| SCHEMBL3992251 | 0.67 | KDM1A (0.36) | — | |
| SCHEMBL1153469 | 0.65 | KDM1A (0.44) | — | |
| SCHEMBL734440 | 0.64 | KDM1A (0.38) | — | |
| SCHEMBL938084 | 0.64 | — | — | |
| SCHEMBL20017698 | 0.64 | HTR2A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005108338-A1 | NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS | AUSPEX PHARMACEUTICALS (US) | 2005-11-17 | — | — | WO | claimed |