⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8659703 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL9014773 | 0.75 | — | — | |
| SCHEMBL30010765 | 0.69 | TRPV4 (0.38) | — | |
| SCHEMBL10980384 | 0.69 | L3MBTL1 (0.32) | — | |
| SCHEMBL216708 | 0.69 | TRPV4 (0.38) | — | |
| SCHEMBL971368 | 0.67 | L3MBTL1 (0.32) | — | |
| SCHEMBL6893855 | 0.67 | — | — | |
| SCHEMBL3925075 | 0.66 | CA1 (0.39) | — | |
| SCHEMBL719443 | 0.66 | FABP3 (0.41) | — | |
| SCHEMBL7819399 | 0.65 | CYP1A2 (0.33) | — |
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-0188400-B1 | OLIGOPEPTIDES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1992-07-08 | — | — | EP | disclosed |
| EP-0168342-A1 | Process for the preparation of thrombin inhibitors | CIBA-GEIGY AG (CH) | 1986-01-15 | — | — | EP | disclosed |