⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9761823 | 0.79 | — | — | |
| SCHEMBL9761748 | 0.76 | HRH1 (0.32) | — | |
| SCHEMBL9761459 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL9761702 | 0.72 | NPC1 (0.46) | — | |
| SCHEMBL9762720 | 0.70 | DHFR (0.33) | — | |
| SCHEMBL9761403 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL9762348 | 0.69 | — | — | |
| SCHEMBL9761370 | 0.68 | KDM4E (0.34) | — | |
| SCHEMBL9762360 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL10400083 | 0.68 | HRH3 (0.31) | — |
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 |