⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15155876 | 0.69 | SLC9A1 (0.56) | — | |
| SCHEMBL7959 | 0.69 | SLC9A1 (0.48) | — | |
| SCHEMBL4006348 | 0.68 | TSHR (0.41) | — | |
| SCHEMBL34349 | 0.65 | POLB (0.48) | — | |
| SCHEMBL10552820 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL2207685 | 0.62 | RAB9A (0.35) | — | |
| SCHEMBL5438355 | 0.62 | ALDH1A1 (0.44) | — | |
| SCHEMBL2872320 | 0.61 | MAPK1 (0.47) | — | |
| SCHEMBL2871727 | 0.61 | MGAM (0.43) | — | |
| SCHEMBL6756160 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8753684-B2 | Particulate UV protection agent | MERCK PATENT GMBH (DE) | 2014-06-17 | — | — | US | disclosed |
| US-20120258154-A1 | PARTICULATE UV PROTECTION AGENT | SACHTLEBEN CHEMIE GMBH (DE) | 2012-10-11 | — | — | US | disclosed |
| US-20100034893-A1 | PARTICULATE UV PROTECTION AGENT | MERCK PATENT GMBH (DE) | 2010-02-11 | — | — | US | disclosed |