⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28330091 | 1.00 | — | — | |
| SCHEMBL60757 | 1.00 | — | — | |
| SCHEMBL9264544 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL1560762 | 0.93 | — | — | |
| SCHEMBL11843789 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL28331569 | 0.87 | — | — | |
| Cyanide SCHEMBL5044082 | 0.87 | — | — | |
| Chloroform SCHEMBL26698061 | 0.82 | — | — | |
| 1,2-Dichloroethane SCHEMBL11312608 | 0.78 | — | — | |
| Dimethylamine SCHEMBL8014839 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2736907-B1 | INDAZOLES | PFIZER LTD (GB) | 2015-10-07 | — | — | EP | claimed |
| EP-0223937-B1 | INDOLES SUBSTITUTED WITH HETEROCYCLES, INTERMEDIATES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS | Roche Diagnostics GmbH (DE) | 1992-03-18 | — | — | EP | claimed |
| EP-2458995-A1 | TRISUBSTITUTED BORON-CONTAINING MOLECULES | Anacor Pharmaceuticals, Inc. (US) | 2012-06-06 | — | — | EP | disclosed |