⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7426606 | 0.74 | — | — | |
| SCHEMBL19395364 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL779858 | 0.73 | — | — | |
| SCHEMBL175516 | 0.71 | CYP3A4 (0.38) | — | |
| SCHEMBL10511144 | 0.70 | — | — | |
| SCHEMBL30887 | 0.70 | — | — | |
| SCHEMBL6380949 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL3199645 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL30384 | 0.69 | — | — | |
| SCHEMBL2542185 | 0.69 | — | — |
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-0265412-B1 | 2-AMINO-4-PHOSPHONYL-BUTANOATE DERIVATES AND PREPARATION OF 2-AMINO-4-PHOSPHINYL BUTANOIC ACIDS | Monsanto Company (US) | 1992-03-11 | — | — | EP | disclosed |
| US-4764620-A | 4-phosphorus-2-phthalimidobutyrate intermediates | MONSANTO COMPANY (US) | 1988-08-16 | — | — | US | disclosed |
| EP-0265412-A2 | 2-Amino-4-Phosphonyl-butanoate derivates and preparation of 2-amino-4-phosphinyl butanoic acids | Monsanto Company (US) | 1988-04-27 | — | — | EP | disclosed |