⚠ 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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL465178 | 0.94 | — | — | |
| Phosphonic Acid SCHEMBL17835306 | 0.88 | — | — | |
| Phosphonic Acid SCHEMBL30092789 | 0.88 | — | — | |
| Phosphonic Acid SCHEMBL28994305 | 0.88 | — | — | |
| Phosphonic Acid SCHEMBL16738855 | 0.88 | — | — | |
| Phosphonic Acid SCHEMBL17474828 | 0.88 | — | — | |
| Phosphonic Acid SCHEMBL23647931 | 0.82 | — | — | |
| Phosphonic Acid SCHEMBL14603364 | 0.80 | — | — | |
| Phosphonic Acid SCHEMBL7197180 | 0.80 | — | — | |
| Phosphonic Acid SCHEMBL3556588 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0025178-B1 | A COMPOSITION CONTAINING A HALF ESTER OF AN ORGANIC POLYOL, AN UNSATURATED MONOMER, AN EPOXIDE, AND REINFORCING FIBER | UNION CARBIDE CORPORATION (US) | 1984-10-03 | — | — | EP | claimed |
| US-5756618-A | CASTING COMPOUND | AKZO NOBEL NV (NL) | 1998-05-26 | — | — | US | disclosed |