⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL131768 | 0.98 | ACHE (0.50) | — | |
| SCHEMBL10319386 | 0.79 | ACHE (0.58) | — | |
| Bromide SCHEMBL27501813 | 0.75 | ACHE (0.52) | — | |
| SCHEMBL22027513 | 0.75 | — | — | |
| SCHEMBL64291 | 0.75 | — | — | |
| SCHEMBL187176 | 0.75 | — | — | |
| SCHEMBL31080760 | 0.75 | — | — | |
| Bromide SCHEMBL6291174 | 0.73 | ACHE (0.50) | — | |
| Bromide SCHEMBL1021684 | 0.73 | ACHE (0.50) | — | |
| M-Xylene SCHEMBL28189 | 0.71 | — | — |
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-3530662-B1 | METHOD FOR PREPARING HEPTAZINES | CENTRE NAT RECH SCIENT (FR) | 2021-03-17 | — | — | EP | disclosed |
| EP-3530662-A1 | METHOD FOR PREPARING HEPTAZINES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2019-08-28 | — | — | EP | disclosed |