⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12609548 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL12609804 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL12609806 | 0.99 | — | — | |
| SCHEMBL27613036 | 0.89 | — | — | |
| SCHEMBL12609893 | 0.81 | — | — | |
| SCHEMBL12609892 | 0.81 | — | — | |
| SCHEMBL28897622 | 0.81 | — | — | |
| SCHEMBL12609863 | 0.79 | — | — | |
| SCHEMBL12609866 | 0.79 | — | — | |
| SCHEMBL12610119 | 0.78 | SLC6A3 (0.67) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2688870-B1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-02-01 | — | — | EP | claimed |
| US-8802673-B2 | Heterocyclic amine derivatives | Hoffmann-La Roche Inc (US) | 2014-08-12 | — | — | US | claimed |
| US-20120245172-A1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-09-27 | — | — | US | claimed |
| EP-2688870-B1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-02-01 | — | — | EP | disclosed |
| US-8802673-B2 | Heterocyclic amine derivatives | Hoffmann-La Roche Inc (US) | 2014-08-12 | — | — | US | disclosed |
| US-20120245172-A1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-09-27 | — | — | US | disclosed |