⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5949177 | 1.00 | — | — | |
| SCHEMBL22841358 | 0.87 | HTR2A (0.32) | — | |
| SCHEMBL7162514 | 0.84 | HTR2A (0.40) | — | |
| SCHEMBL5949186 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL5949167 | 0.82 | CA12 (0.33) | — | |
| SCHEMBL5948430 | 0.81 | ALDH1A1 (0.48) | — | |
| SCHEMBL5948917 | 0.80 | TSHR (0.43) | — | |
| SCHEMBL22590613 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL19519928 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL20117553 | 0.79 | ALDH1A1 (0.52) | — |
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-2009070485-A1 | DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-04 | — | — | WO | disclosed |