⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8531420 | 0.84 | MEN1 (0.60) | — | |
| SCHEMBL45629 | 0.84 | — | — | |
| SCHEMBL8365 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL8339371 | 0.81 | — | — | |
| Hydroxyamine SCHEMBL2673839 | 0.81 | MEN1 (0.32) | — | |
| Bromide SCHEMBL1472016 | 0.81 | — | — | |
| Tromethamine SCHEMBL11647748 | 0.81 | MEN1 (0.67) | — | |
| Hydrochloric Acid SCHEMBL1469923 | 0.81 | — | — | |
| Alcohol SCHEMBL18575663 | 0.81 | MEN1 (0.56) | — | |
| Ammonia Solution, Strong SCHEMBL15322546 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3097098-B1 | PROCESS FOR THE PREPARATION OF N-[(3-AMINOOXETAN-3-YL)METHYL]-2-(1,1-DIOXO-3,5-DIHYDRO-1,4-BENZOTHIAZEPIN-4-YL)-6-METHYL-QUINAZOLIN-4-AMINE | HOFFMANN LA ROCHE (CH) | 2020-03-04 | — | — | EP | disclosed |