⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2254844 | 0.82 | — | — | |
| SCHEMBL7785077 | 0.80 | — | — | |
| SCHEMBL24917026 | 0.78 | — | — | |
| SCHEMBL28220666 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL2739895 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL8883097 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL10422950 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL15896886 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL9675581 | 0.75 | — | — | |
| Propylene Glycol SCHEMBL6836443 | 0.75 | TDP1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0832077-B1 | IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS | DU PONT PHARM CO (US) | 2001-11-14 | — | — | EP | claimed |