⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9762643 | 0.82 | — | — | |
| SCHEMBL9762406 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL9761277 | 0.73 | CYP1A2 (0.37) | — | |
| SCHEMBL9762592 | 0.73 | KMT2A (0.42) | — | |
| SCHEMBL9761177 | 0.70 | — | — | |
| SCHEMBL10400088 | 0.69 | FDPS (0.34) | — | |
| SCHEMBL9761467 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL9761157 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL9762455 | 0.66 | — | — | |
| SCHEMBL10399502 | 0.61 | — | — |
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 |