⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7855427 | 0.62 | — | — | |
| SCHEMBL4057613 | 0.58 | — | — | |
| SCHEMBL7263753 | 0.57 | NNMT (0.33) | — | |
| SCHEMBL9252020 | 0.57 | — | — | |
| Urea SCHEMBL28483960 | 0.49 | — | — | |
| SCHEMBL7705143 | 0.47 | ALDH1A1 (0.43) | — | |
| Carbamic Acid SCHEMBL15321325 | 0.47 | — | — | |
| SCHEMBL28565 | 0.46 | — | — | |
| SCHEMBL23511720 | 0.46 | ALDH1A1 (0.52) | — | |
| Benzoquinone SCHEMBL5963896 | 0.45 | TDP1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2285375-A2 | SPIROAZAINDOLES | Merck Sharp & Dohme Corp. (US) | 2011-02-23 | — | — | EP | claimed |
| WO-2009137291-A2 | SPIROAZAINDOLES | MERCK & CO., INC. (US) | 2009-11-12 | — | — | WO | claimed |
| EP-0681623-A1 | RADIATION-INDUCED FIXATION OF DYES. | CIBA GEIGY AG (CH) | 1995-11-15 | — | — | EP | disclosed |
| WO-1994018381-A1 | RADIATION-INDUCED FIXATION OF DYES | CIBA-GEIGY AG (CH) | 1994-08-18 | — | — | WO | disclosed |