⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36461 | 1.00 | — | — | |
| SCHEMBL1402487 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL1402394 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL1402468 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL3394299 | 0.82 | — | — | |
| SCHEMBL4865718 | 0.82 | — | — | |
| SCHEMBL4853906 | 0.80 | — | — | |
| SCHEMBL21676321 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL1402738 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL1402473 | 0.79 | ALDH1A1 (0.42) | — |
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-1996024598-A1 | [4-HEXADECYL-3-METHOXY-BUTYL] PHOSPHONIC ACID AND ITS PROTEIN CONJUGATES USEFUL AS ANTI-CANCER AGENTS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 1996-08-15 | — | — | WO | disclosed |