⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6902044 | 0.89 | ALDH1A1 (0.36) | — | |
| SCHEMBL5142946 | 0.78 | — | — | |
| SCHEMBL18166785 | 0.78 | — | — | |
| SCHEMBL1969198 | 0.78 | — | — | |
| SCHEMBL27806702 | 0.76 | MEN1 (0.38) | — | |
| SCHEMBL11305843 | 0.75 | — | — | |
| SCHEMBL649854 | 0.75 | — | — | |
| SCHEMBL11745725 | 0.72 | TDP1 (0.45) | — | |
| SCHEMBL11813098 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL585989 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4312662-A | N-Substituted carboxy-N-phosphonomethylglycines and the salts thereof as herbicides | MONSANTO COMPANY (US) | 1982-01-26 | — | — | US | disclosed |