⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7448567 | 0.82 | — | — | |
| SCHEMBL7455248 | 0.81 | HTR1A (0.36) | — | |
| SCHEMBL7447043 | 0.77 | SLC6A4 (0.35) | — | |
| SCHEMBL7449308 | 0.75 | DRD3 (0.42) | — | |
| SCHEMBL7446759 | 0.74 | DRD3 (0.38) | — | |
| SCHEMBL7446300 | 0.71 | DRD3 (0.41) | — | |
| SCHEMBL10934615 | 0.70 | — | — | |
| SCHEMBL7450002 | 0.68 | KDM1A (0.42) | — | |
| SCHEMBL121088 | 0.66 | — | — | |
| SCHEMBL6856181 | 0.66 | — | — |
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-2000006536-A1 | HEXAHYDRO-NAPHTHALENONE OXIMES AND HYDRAZONES | WARNER-LAMBERT COMPANY (US) | 2000-02-10 | — | — | WO | disclosed |