⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11816254 | 0.74 | AHR (0.43) | — | |
| SCHEMBL90928 | 0.74 | MMP12 (0.34) | — | |
| SCHEMBL9117066 | 0.72 | FTO (0.32) | — | |
| Chloromethane SCHEMBL6475054 | 0.71 | AHR (0.40) | — | |
| SCHEMBL11398281 | 0.69 | — | — | |
| SCHEMBL9390636 | 0.69 | — | — | |
| SCHEMBL113505 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL1486243 | 0.69 | CMA1 (0.32) | — | |
| SCHEMBL11655598 | 0.69 | IGLV6-57 (0.37) | — | |
| SCHEMBL5241593 | 0.68 | — | — |
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-20040063783-A1 | Nitroso diphenylamine derivatives | MERCK PATENT GMBH (DE) | 2004-04-01 | — | — | US | disclosed |
| EP-1322598-A1 | NITROSO DIPHENYLAMINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002028820-A1 | NITROSO DIPHENYLAMINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-04-11 | — | — | WO | disclosed |