⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1986289 | 0.94 | — | — | |
| SCHEMBL1979673 | 0.86 | MEN1 (0.30) | — | |
| SCHEMBL1964999 | 0.80 | USP2 (0.32) | — | |
| SCHEMBL1982449 | 0.80 | — | — | |
| SCHEMBL1981202 | 0.76 | — | — | |
| SCHEMBL13270262 | 0.74 | TDP1 (0.31) | — | |
| SCHEMBL14801604 | 0.72 | USP2 (0.36) | — | |
| SCHEMBL23282418 | 0.69 | ASGR1 (0.40) | — | |
| SCHEMBL13270265 | 0.69 | CNR2 (0.30) | — | |
| SCHEMBL28589953 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011071716-A1 | HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-16 | — | — | WO | disclosed |