⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4635643 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL11109785 | 0.70 | MAPT (0.31) | — | |
| SCHEMBL9388545 | 0.69 | RAB9A (0.42) | — | |
| Alcohol SCHEMBL28407704 | 0.69 | TDP1 (0.33) | — | |
| SCHEMBL16318734 | 0.69 | TXNRD1 (0.43) | — | |
| SCHEMBL3811168 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL3967216 | 0.68 | — | — | |
| SCHEMBL2000009 | 0.68 | — | — | |
| SCHEMBL3194680 | 0.68 | PTPRA (0.46) | — | |
| SCHEMBL3194682 | 0.68 | PTPRA (0.46) | — |
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-2009018163-A1 | HYPOXIA ACTIVATED PRODRUGS OF ANTHRACYCLINES | THRESHOLD PHARMACEUTICALS, INC. (US) | 2009-02-05 | — | — | WO | disclosed |