⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3325448 | 0.85 | — | — | |
| SCHEMBL1116274 | 0.69 | — | — | |
| SCHEMBL977424 | 0.67 | — | — | |
| SCHEMBL11206063 | 0.67 | — | — | |
| SCHEMBL18894197 | 0.65 | — | — | |
| SCHEMBL17147074 | 0.65 | KDM4E (0.56) | — | |
| Barbituric Acid SCHEMBL38707 | 0.65 | — | — | |
| Barbituric Acid SCHEMBL4560317 | 0.65 | ALDH1A1 (0.55) | — | |
| Barbituric Acid SCHEMBL9941322 | 0.65 | — | — | |
| SCHEMBL2873513 | 0.64 | — | — |
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-3197954-B1 | PIGMENT COMPOSITION | BASF SE (DE) | 2018-06-13 | — | — | EP | disclosed |
| EP-3197955-B1 | STABILIZATION OF C.I. PIGMENT YELLOW 139 | BASF SE (DE) | 2018-05-16 | — | — | EP | disclosed |