⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3165265 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL4169420 | 0.78 | FDPS (0.45) | — | |
| SCHEMBL4169424 | 0.78 | FDPS (0.45) | — | |
| SCHEMBL187967 | 0.77 | — | — | |
| SCHEMBL7155451 | 0.76 | FDPS (0.47) | — | |
| SCHEMBL11038538 | 0.76 | FDPS (0.47) | — | |
| SCHEMBL1313530 | 0.76 | FDPS (0.47) | — | |
| SCHEMBL10603615 | 0.76 | FDPS (0.47) | — | |
| SCHEMBL28128419 | 0.76 | FDPS (0.47) | — | |
| SCHEMBL28128895 | 0.76 | FDPS (0.47) | — |
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-0402312-B1 | P-substituted propane-phosphinic acid compounds | CIBA GEIGY AG (CH) | 1995-01-25 | — | — | EP | claimed |