⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12259482 | 0.79 | HDAC6 (0.36) | — | |
| SCHEMBL12310211 | 0.79 | OPRM1 (0.31) | — | |
| SCHEMBL12259495 | 0.76 | HIF1A (0.38) | — | |
| SCHEMBL12259528 | 0.74 | — | — | |
| SCHEMBL12259573 | 0.74 | FDPS (0.34) | — | |
| SCHEMBL12259531 | 0.73 | CCR1 (0.38) | — | |
| SCHEMBL12258768 | 0.71 | KCNH2 (0.32) | — | |
| SCHEMBL12259479 | 0.71 | RRM2 (0.32) | — | |
| SCHEMBL12259483 | 0.70 | HDAC3 (0.36) | — | |
| SCHEMBL12259468 | 0.70 | PDE2A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8552205-B2 | Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-10-08 | — | — | US | disclosed |
| US-8552205-B2 | Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-10-08 | — | — | US | disclosed |
| US-20110224188-A1 | DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-15 | — | — | US | disclosed |