⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL632201 | 0.97 | — | — | |
| Ethylene SCHEMBL28883508 | 0.91 | — | — | |
| Methyl Alcohol SCHEMBL21630012 | 0.88 | — | — | |
| Methylamine SCHEMBL4819184 | 0.88 | — | — | |
| SCHEMBL16390982 | 0.86 | — | — | |
| Boric Acid SCHEMBL8755222 | 0.84 | HSD17B1 (0.40) | — | |
| Pyridine SCHEMBL102868 | 0.82 | ASIC3 (0.47) | — | |
| Ethylamine SCHEMBL4431062 | 0.82 | — | — | |
| Acetic Acid SCHEMBL9941297 | 0.80 | KMO (0.47) | — | |
| SCHEMBL10324727 | 0.78 | LMNA (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103097381-B | As 1,8-naphthyridines material of kinase inhibitor | MERCK PATENT GMBH (DE) | 2015-10-07 | — | — | CN | disclosed |