⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9576360 | 0.70 | — | — | |
| SCHEMBL3128631 | 0.70 | — | — | |
| SCHEMBL17909909 | 0.68 | — | — | |
| SCHEMBL87610 | 0.68 | — | — | |
| SCHEMBL2222898 | 0.62 | — | — | |
| SCHEMBL145589 | 0.62 | NOS3 (0.38) | — | |
| Bromide SCHEMBL1321516 | 0.60 | NOS3 (0.36) | — | |
| SCHEMBL7360709 | 0.60 | — | — | |
| SCHEMBL23586735 | 0.60 | ITGB3 (0.51) | — | |
| SCHEMBL21122887 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090169608-A1 | TOPICALLY APPLICABLE COMPOSITION FOR USE AS A SKIN BLEACHING AGENT | DSM IP ASSETS B.V. (NL) | 2009-07-02 | — | — | US | disclosed |