⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2876460 | 0.81 | — | — | |
| SCHEMBL1027529 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL2201895 | 0.80 | — | — | |
| SCHEMBL16760834 | 0.77 | — | — | |
| SCHEMBL22319333 | 0.74 | KDM4E (0.38) | — | |
| SCHEMBL497097 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL14778273 | 0.71 | — | — | |
| SCHEMBL1857954 | 0.71 | — | — | |
| SCHEMBL13583780 | 0.71 | — | — | |
| Carbamic Acid SCHEMBL3591976 | 0.67 | ACHE (0.41) | — |
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 |