⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276878 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL8093391 | 0.91 | — | — | |
| SCHEMBL10045145 | 0.86 | CYP2C19 (0.35) | — | |
| SCHEMBL11572193 | 0.82 | CYP2C19 (0.35) | — | |
| SCHEMBL11922983 | 0.81 | TSHR (0.41) | — | |
| SCHEMBL10045142 | 0.79 | CYP2C19 (0.50) | — | |
| SCHEMBL24178682 | 0.78 | TSHR (0.48) | — | |
| SCHEMBL9441243 | 0.78 | — | — | |
| SCHEMBL9441239 | 0.78 | — | — | |
| SCHEMBL1275422 | 0.78 | LMNA (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0780382-B1 | S-Triazine derivatives as sunscreen agents for cosmetics | HOFFMANN LA ROCHE (CH) | 2003-06-11 | — | — | EP | disclosed |
| US-5874576-A | 4,4'-(6-(BIS(DIALKYL)AMINO)-S-TRIAZIN-2,4-DIYL)RESORCINAL; SUNSCREEN AGENTS; PHOTOSTABILITY; COSMETICS; UV A RADIATION | GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) | 1999-02-23 | — | — | US | disclosed |
| EP-0780382-A1 | S-Triazine derivatives as sunscreen agents for cosmetics | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1997-06-25 | — | — | EP | disclosed |