⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6654981 | 0.74 | — | — | |
| SCHEMBL20542540 | 0.68 | — | — | |
| SCHEMBL9674373 | 0.64 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL21186397 | 0.57 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL10411212 | 0.55 | — | — | |
| SCHEMBL21530571 | 0.53 | KDM4E (0.33) | — | |
| SCHEMBL21645374 | 0.50 | — | — | |
| SCHEMBL18938670 | 0.50 | — | — | |
| SCHEMBL1426701 | 0.49 | CYP2A6 (0.33) | — | |
| SCHEMBL11421932 | 0.47 | CA3 (0.30) | — |
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-4762830-A | 5-(azolyloxyphenylcarbamoyl)barbituric acid derivatives as anthelmintics | CIBA-GEIGY CORPORATION (US) | 1988-08-09 | — | — | US | disclosed |