⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3360900 | 0.78 | LAP3 (0.45) | — | |
| SCHEMBL11766060 | 0.78 | GABBR2 (0.40) | — | |
| SCHEMBL4405162 | 0.76 | — | — | |
| SCHEMBL7961190 | 0.72 | LAP3 (0.48) | — | |
| SCHEMBL2514857 | 0.72 | — | — | |
| SCHEMBL2020128 | 0.72 | — | — | |
| SCHEMBL570763 | 0.72 | GABBR2 (0.36) | — | |
| SCHEMBL26660965 | 0.71 | — | — | |
| SCHEMBL7952705 | 0.70 | — | — | |
| SCHEMBL31612460 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0244459-B1 | PROCESS FOR THE PRODUCTION OF ALIPHATIC PHOSPHONIC ACIDS | RHONE POULENC NEDERLAND B.V. (NL) | 1990-02-07 | — | — | EP | disclosed |
| US-4728466-A | TWO-STAGE SAPONIFICATION OF ESTER, CONTINUOUS REPLACEMENT | RHONE-POULENC NEDERLAND B.V. (NL) | 1988-03-01 | — | — | US | disclosed |
| US-4064163-A | REACTING DIESTER OF THE PHOSPHONIC ACID WITH HYDROGEN HALIDE | AMCHEM PRODUCTS, INC. | 1977-12-20 | — | — | US | disclosed |