⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9761640 | 0.80 | HRH1 (0.33) | — | |
| SCHEMBL9761579 | 0.76 | MEN1 (0.32) | — | |
| SCHEMBL9762396 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL9762348 | 0.72 | — | — | |
| SCHEMBL9761212 | 0.72 | PARP1 (0.36) | — | |
| SCHEMBL9762175 | 0.69 | MAPT (0.33) | — | |
| SCHEMBL9761854 | 0.69 | NPC1 (0.41) | — | |
| SCHEMBL9761370 | 0.69 | KDM4E (0.34) | — | |
| SCHEMBL9762702 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL10400103 | 0.66 | HRH3 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5026694-A | Antitumor agents | THE BRITISH COLUMBIA CANCER FOUNDATION (CA) | 1991-06-25 | — | — | US | disclosed |