⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL19667261 | 0.98 | — | — | |
| SCHEMBL12946459 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL19667648 | 0.82 | — | — | |
| SCHEMBL11806896 | 0.72 | — | — | |
| SCHEMBL14668945 | 0.70 | — | — | |
| SCHEMBL8093721 | 0.70 | NOS1 (0.54) | — | |
| SCHEMBL8299940 | 0.68 | NOS1 (0.64) | — | |
| SCHEMBL24592716 | 0.65 | NOS1 (0.67) | — | |
| SCHEMBL9060276 | 0.65 | — | — | |
| SCHEMBL21620345 | 0.64 | NOS1 (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105121441-B | Substituted pyrimidinium compounds and derivatives for combating animal pests | 巴斯夫欧洲公司 | 2018-04-20 | — | — | CN | disclosed |
| US-20040229911-A1 | New pharmaceutical combinations for NOS inhibitors | PFIZER INC | 2004-11-18 | — | — | US | disclosed |