⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2160721 | 0.68 | PDE1B (0.34) | — | |
| SCHEMBL1304289 | 0.67 | CCNE1 (0.31) | — | |
| SCHEMBL14397368 | 0.67 | RPS6KB1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3527705 | 0.66 | RPS6KB1 (0.30) | — | |
| SCHEMBL25159804 | 0.65 | USP1 (0.32) | — | |
| SCHEMBL31014714 | 0.64 | — | — | |
| SCHEMBL21453750 | 0.63 | RPS6KB1 (0.33) | — | |
| SCHEMBL31014846 | 0.60 | — | — | |
| SCHEMBL17001795 | 0.60 | USP1 (0.35) | — | |
| SCHEMBL21876430 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8889665-B2 | Chemical compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-18 | — | — | US | disclosed |
| US-20110183952-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-28 | — | — | US | disclosed |
| US-7858804-B2 | Process for making cytokine inhibiting compounds containing 4- and 5-imidazolyl rings and the intermediates thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-28 | — | — | US | disclosed |
| US-20090137815-A1 | Process for Making Cytokine Inhibiting Compounds Containing 4- and 5-Imidazolyl Rings and the Intermediates Thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | US | disclosed |