⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16816578 | 0.75 | — | — | |
| SCHEMBL2171251 | 0.73 | — | — | |
| SCHEMBL5493507 | 0.73 | L3MBTL1 (0.32) | — | |
| SCHEMBL13449774 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL7119565 | 0.73 | — | — | |
| SCHEMBL8896831 | 0.71 | L3MBTL1 (0.31) | — | |
| SCHEMBL12225477 | 0.71 | — | — | |
| SCHEMBL15370335 | 0.71 | — | — | |
| SCHEMBL7620432 | 0.71 | — | — | |
| SCHEMBL25946629 | 0.71 | ALDH1A1 (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-1047418-B1 | INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS | BAYER PHARMACEUTICALS CORP (US) | 2005-07-27 | — | — | EP | disclosed |
| EP-0304036-A2 | 3-(substituted)propenyl-7-(aminothiazolylacetamido)ceph-3-em-4-carboxylic acids and esters thereof | Bristol-Myers Squibb Company (US) | 1989-02-22 | — | — | EP | disclosed |