⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11326344 | 0.79 | — | — | |
| SCHEMBL16412218 | 0.67 | — | — | |
| SCHEMBL1331944 | 0.66 | — | — | |
| SCHEMBL27912512 | 0.66 | MAPK1 (0.31) | — | |
| SCHEMBL1296 | 0.66 | — | — | |
| SCHEMBL10940023 | 0.66 | — | — | |
| SCHEMBL7240952 | 0.66 | — | — | |
| SCHEMBL131982 | 0.64 | — | — | |
| SCHEMBL14973371 | 0.62 | — | — | |
| Water SCHEMBL2473448 | 0.62 | — | — |
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-20120157545-A1 | METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS | ACTELION PHARMACEUTICALS, LTD. (CH) | 2012-06-21 | — | — | US | disclosed |