⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2413393 | 0.75 | — | — | |
| Iodide SCHEMBL10821813 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6834925 | 0.73 | — | — | |
| SCHEMBL4898346 | 0.70 | — | — | |
| Iodide SCHEMBL11446904 | 0.70 | — | — | |
| Bromide SCHEMBL3932041 | 0.70 | — | — | |
| SCHEMBL2363930 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL2001403 | 0.66 | — | — | |
| SCHEMBL11135652 | 0.65 | PTGS1 (0.34) | — | |
| Bromide SCHEMBL9154612 | 0.64 | ALDH1A1 (0.37) | — |
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-1147493-C | Oxazolo, thiazolo and selenazolo [4,5-C]-quinolin-4-amines and analoges thereof | 3M | 2004-04-28 | — | — | CN | disclosed |
| CN-1320126-A | Oxazolo, thiazolo and selenazolo [4, 5-C ] quinolin-4-amines and analogs thereof | 3M INNOVATIVE PROPERTIES CO (US) | 2001-10-31 | — | — | CN | disclosed |