⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31398315 | 0.78 | — | — | |
| SCHEMBL2147888 | 0.73 | — | — | |
| SCHEMBL15802701 | 0.73 | — | — | |
| SCHEMBL271045 | 0.73 | — | — | |
| SCHEMBL15802700 | 0.73 | — | — | |
| SCHEMBL4305457 | 0.71 | — | — | |
| SCHEMBL14435520 | 0.70 | SLC7A5 (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL28600190 | 0.69 | — | — | |
| SCHEMBL25092058 | 0.69 | — | — | |
| SCHEMBL10136505 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2509980-A1 | HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE | Boehringer Ingelheim International GmbH (DE) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011071716-A1 | HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-16 | — | — | WO | disclosed |