⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7756627 | 1.00 | — | — | |
| SCHEMBL11568149 | 0.80 | — | — | |
| SCHEMBL24193597 | 0.71 | — | — | |
| SCHEMBL7702290 | 0.67 | TDP1 (0.30) | — | |
| SCHEMBL20118624 | 0.65 | — | — | |
| SCHEMBL2239024 | 0.64 | — | — | |
| SCHEMBL24133269 | 0.62 | MEN1 (0.32) | — | |
| SCHEMBL14049037 | 0.61 | — | — | |
| SCHEMBL14234752 | 0.60 | KMT2A (0.30) | — | |
| SCHEMBL179521 | 0.60 | — | — |
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-0798289-B1 | Alpha-Iminocarboxylic acid derivative | HOFFMANN LA ROCHE (CH) | 2001-03-07 | — | — | EP | disclosed |
| US-5710322-A | Optically active iminocarboxylic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 1998-01-20 | — | — | US | disclosed |
| EP-0798289-A1 | Alpha-Iminocarboxylic acid derivative | F. HOFFMANN-LA ROCHE AG (CH) | 1997-10-01 | — | — | EP | disclosed |