⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27508121 | 0.82 | RAB9A (0.35) | — | |
| SCHEMBL27506486 | 0.80 | KDM4E (0.30) | — | |
| SCHEMBL27505717 | 0.80 | — | — | |
| SCHEMBL27556398 | 0.76 | ADORA2A (0.36) | — | |
| SCHEMBL27563372 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL27490375 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL27492511 | 0.75 | CYP2C19 (0.39) | — | |
| SCHEMBL27506108 | 0.75 | — | — | |
| SCHEMBL27531535 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL27505331 | 0.70 | MAOA (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1204323-A | Use of tricyclic 1,4-dihydro-1,4-dioxo-1 H-naphthalene derivatives, resulting novel compounds and therapeutical use thereof | INNOTHERA LAB SA (FR) | 1999-01-06 | — | — | CN | disclosed |