⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28343842 | 1.00 | — | — | |
| SCHEMBL12373201 | 0.93 | — | — | |
| SCHEMBL12929773 | 0.93 | — | — | |
| SCHEMBL8446362 | 0.90 | — | — | |
| SCHEMBL8449434 | 0.90 | — | — | |
| SCHEMBL731430 | 0.87 | — | — | |
| SCHEMBL18978918 | 0.87 | — | — | |
| SCHEMBL17123471 | 0.87 | — | — | |
| SCHEMBL11582930 | 0.87 | — | — | |
| SCHEMBL28339248 | 0.86 | — | — |
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-0863145-B1 | Sunscreen compositions | HOFFMANN LA ROCHE (CH) | 2003-10-01 | — | — | EP | disclosed |
| US-5976512-A | SUN SCREENING AGENTS. | ROCHE VITAMINS INC. (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0863145-A2 | Sunscreen compositions | F. HOFFMANN-LA ROCHE AG (CH) | 1998-09-09 | — | — | EP | disclosed |