⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8910355 | 0.82 | — | — | |
| SCHEMBL837010 | 0.80 | CYP3A4 (0.42) | — | |
| SCHEMBL1123875 | 0.80 | — | — | |
| SCHEMBL1725397 | 0.77 | — | — | |
| SCHEMBL4455881 | 0.77 | ADRB2 (0.43) | — | |
| SCHEMBL702719 | 0.76 | — | — | |
| SCHEMBL11328622 | 0.74 | — | — | |
| SCHEMBL11554765 | 0.74 | ADRB2 (0.41) | — | |
| SCHEMBL10010828 | 0.74 | CYP3A4 (0.37) | — | |
| SCHEMBL10738821 | 0.74 | CA1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5597854-A | PHOTOGRAPHIC APPLICATIONS, COATINGS, BINDERS, POLYMERS, TRIAZINE OR PYRIMIDINE COMPOUNDS | CIBA-GEIGY CORPORATION (US) | 1997-01-28 | — | — | US | disclosed |
| EP-0711804-A2 | Latent light stabilizers | CIBA-GEIGY AG (CH) | 1996-05-15 | — | — | EP | disclosed |