⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17190109 | 0.77 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL15777183 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL15017837 | 0.74 | TP53 (0.40) | — | |
| SCHEMBL7352222 | 0.71 | — | — | |
| SCHEMBL2094376 | 0.71 | — | — | |
| SCHEMBL10616300 | 0.71 | — | — | |
| SCHEMBL2933578 | 0.71 | — | — | |
| SCHEMBL2869462 | 0.71 | — | — | |
| SCHEMBL4849385 | 0.70 | HDAC1 (0.49) | — | |
| SCHEMBL4405692 | 0.70 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114599644-B | Nicotinamide compound and herbicide composition containing the same | 韩国化学研究院 | 2024-08-02 | — | — | CN | disclosed |
| CN-114599644-A | Nicotinamide compound and herbicide composition containing the same | 韩国化学研究院 | 2022-06-07 | — | — | CN | disclosed |
| WO-2021080330-A1 | NICOTINAMIDE COMPOUND AND HERBICIDAL COMPOSITION COMPRISING COMPOUND | 한국화학연구원 | 2021-04-29 | — | — | WO | disclosed |
| US-9458113-B2 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-10-04 | — | — | US | disclosed |
| US-9290457-B2 | Substituted dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-03-22 | — | — | US | disclosed |
| US-20160031825-A1 | SUBSTITUTED DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-02-04 | — | — | US | disclosed |
| US-20160031830-A1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-02-04 | — | — | US | disclosed |
| WO-2012069605-A1 | NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS | DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) | 2012-05-31 | — | — | WO | disclosed |