⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12609592 | 1.00 | — | — | |
| SCHEMBL17224090 | 0.86 | — | — | |
| SCHEMBL12609777 | 0.82 | — | — | |
| SCHEMBL12609908 | 0.82 | — | — | |
| SCHEMBL12609781 | 0.82 | — | — | |
| SCHEMBL12609556 | 0.82 | — | — | |
| SCHEMBL12609558 | 0.82 | — | — | |
| SCHEMBL22996300 | 0.81 | — | — | |
| SCHEMBL12609772 | 0.80 | — | — | |
| SCHEMBL12609774 | 0.80 | — | — |
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 11 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 |
| CN-103443074-A | Heterocyclic amine derivatives | HOFFMANN LA ROCHE | 2013-12-11 | — | — | CN | 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 |
| 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 |
| EP-2688870-A1 | HETEROCYCLIC AMINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-29 | — | — | EP | disclosed |
| CN-103443074-A | Heterocyclic amine derivatives | HOFFMANN LA ROCHE | 2013-12-11 | — | — | CN | disclosed |
| US-20120245172-A1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-09-27 | — | — | US | disclosed |
| WO-2012126922-A1 | HETEROCYCLIC AMINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-27 | — | — | WO | disclosed |