⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13034847 | 0.76 | — | — | |
| SCHEMBL786437 | 0.73 | NOS3 (0.31) | — | |
| SCHEMBL3322875 | 0.73 | — | — | |
| SCHEMBL18827277 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL28150542 | 0.71 | NOS3 (0.30) | — | |
| SCHEMBL28079964 | 0.71 | NOS3 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL28135320 | 0.71 | NOS3 (0.30) | — | |
| SCHEMBL17399895 | 0.71 | — | — | |
| SCHEMBL4616815 | 0.71 | — | — | |
| SCHEMBL19577698 | 0.71 | — | — |
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-20210188814-A1 | PYRIDAZINONE COMPOUNDS AND USES THEREOF | CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) | 2021-06-24 | — | — | US | disclosed |
| US-20210053975-A1 | INHIBITORS OF PROTEIN ARGININE DEIMINASES | FORWARD THERAPEUTICS, INC. | 2021-02-25 | — | — | US | disclosed |
| US-9637504-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2017-05-02 | — | — | US | disclosed |
| US-9586902-B2 | Histone demethylase inhibitors | CELGENE QUANTICEL RESEARCH, INC. (US) | 2017-03-07 | — | — | US | disclosed |