⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24738497 | 0.81 | — | — | |
| SCHEMBL11359019 | 0.78 | — | — | |
| SCHEMBL5180885 | 0.77 | — | — | |
| SCHEMBL5178464 | 0.75 | — | — | |
| SCHEMBL5178459 | 0.75 | — | — | |
| SCHEMBL23900914 | 0.75 | — | — | |
| SCHEMBL1260199 | 0.65 | — | — | |
| SCHEMBL14280318 | 0.63 | EPHX1 (0.33) | — | |
| SCHEMBL14645551 | 0.61 | — | — | |
| SCHEMBL10724960 | 0.61 | — | — |
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-8530511-B2 | Administration of dithiolane compounds for photoprotecting the skin | L'OREAL (FR) | 2013-09-10 | — | — | US | disclosed |
| US-20100197759-A1 | Administration of dithiolane compounds for photoprotecting the skin | L'OREAL (FR) | 2010-08-05 | — | — | US | disclosed |