⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2841634 | 0.78 | — | — | |
| SCHEMBL2842008 | 0.74 | USP2 (0.30) | — | |
| SCHEMBL8124456 | 0.73 | USP2 (0.33) | — | |
| SCHEMBL14690787 | 0.69 | — | — | |
| SCHEMBL15213164 | 0.64 | — | — | |
| SCHEMBL18924686 | 0.59 | — | — | |
| Bromide SCHEMBL1394599 | 0.55 | EPHX1 (0.35) | — | |
| SCHEMBL10626682 | 0.55 | — | — | |
| SCHEMBL1485749 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL7962177 | 0.55 | EPHX1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-3248969-B1 | PROCESS FOR THE PREPARATION OF N-[3-(AMINOMETHYL)OXETAN-3-YL]CARBAMATE INTERMEDIATES | HOFFMANN LA ROCHE (CH) | 2020-03-04 | — | — | EP | disclosed |