⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27844312 | 1.00 | — | — | |
| SCHEMBL428351 | 1.00 | — | — | |
| SCHEMBL14257264 | 1.00 | — | — | |
| SCHEMBL31509260 | 1.00 | — | — | |
| Acetic Acid SCHEMBL15261666 | 0.86 | TRPA1 (0.43) | — | |
| SCHEMBL1301172 | 0.83 | TSHR (0.47) | — | |
| SCHEMBL28157993 | 0.83 | TSHR (0.47) | — | |
| SCHEMBL4883986 | 0.83 | TSHR (0.47) | — | |
| SCHEMBL106965 | 0.80 | TSHR (0.44) | — | |
| SCHEMBL13210533 | 0.80 | TSHR (0.44) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9051310-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2015-06-09 | — | — | US | disclosed |
| US-8895585-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| US-20140309225-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2014-10-16 | — | — | US | disclosed |
| US-8809371-B2 | — | — | 2014-08-19 | — | — | US | disclosed |
| CN-102186851-B | Triazolopyridine compounds as pim kinase inhibitors | ARRAY BIOPHARMA INC | 2013-06-12 | — | — | CN | disclosed |
| US-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |
| CN-102186851-A | Triazolopyridine compounds as pim kinase inhibitors | ARRAY BIOPHARMA INC | 2011-09-14 | — | — | CN | disclosed |