⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13819837 | 1.00 | — | — | |
| SCHEMBL64897 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9784988 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9759307 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9759303 | 0.97 | — | — | |
| SCHEMBL11095722 | 0.85 | GABRR1 (0.33) | — | |
| SCHEMBL19733366 | 0.85 | GABRR1 (0.33) | — | |
| SCHEMBL28468618 | 0.83 | — | — | |
| SCHEMBL48612 | 0.82 | — | — | |
| SCHEMBL16978757 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8216968-B2 | Coordination complex system comprising building blocks | UNIVERSITEIT VAN AMSTERDAM (NL) | 2012-07-10 | — | — | US | disclosed |
| 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 |