⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2356207 | 0.66 | NOS1 (0.38) | — | |
| SCHEMBL5713342 | 0.61 | NOS1 (0.34) | — | |
| SCHEMBL6668881 | 0.61 | NOS1 (0.35) | — | |
| SCHEMBL4952 | 0.61 | — | — | |
| SCHEMBL29054805 | 0.59 | — | — | |
| Water SCHEMBL3067278 | 0.59 | NOS1 (0.33) | — | |
| SCHEMBL30575167 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL7717857 | 0.59 | — | — | |
| Ammonia Solution, Strong SCHEMBL16060515 | 0.59 | — | — | |
| SCHEMBL28912276 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017133667-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |