⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29438095 | 0.98 | — | — | |
| SCHEMBL3172547 | 0.98 | — | — | |
| Water SCHEMBL27627500 | 0.95 | — | — | |
| SCHEMBL27797521 | 0.78 | KMT2A (0.34) | — | |
| Imidazole SCHEMBL27667040 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL28027824 | 0.73 | — | — | |
| SCHEMBL27643025 | 0.73 | — | — | |
| SCHEMBL27456791 | 0.73 | — | — | |
| SCHEMBL29290191 | 0.68 | — | — | |
| SCHEMBL11412099 | 0.67 | CCNC (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110105340-A | Benzamide and nicotinamide compounds and its application method | 昂康塔睿迪斯股份有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-110016015-A | Benzamide and nicotinamide compounds and its application method | 昂康塔睿迪斯股份有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-105980349-A | Benzamide and nicotinamide compounds and methods of use thereof | 昂康塔睿迪斯股份有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-1074903-A | The six hydrogen azepine ketone and the tetrahydro benzo azepine ketone that replace | PFIZER (US) | 1993-08-04 | — | — | CN | disclosed |
| CN-1074903-A | The six hydrogen azepine ketone and the tetrahydro benzo azepine ketone that replace | PFIZER (US) | 1993-08-04 | — | — | CN | disclosed |
| CN-1074903-A | The six hydrogen azepine ketone and the tetrahydro benzo azepine ketone that replace | PFIZER (US) | 1993-08-04 | — | — | CN | disclosed |