⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1703286 | 0.71 | — | — | |
| SCHEMBL569128 | 0.71 | — | — | |
| SCHEMBL13967138 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL21726223 | 0.70 | — | — | |
| SCHEMBL24386529 | 0.70 | CYP3A4 (0.33) | — | |
| SCHEMBL22600169 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL24044088 | 0.69 | — | — | |
| SCHEMBL21393343 | 0.67 | — | — | |
| SCHEMBL1844112 | 0.67 | — | — | |
| SCHEMBL24378287 | 0.66 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9562052-B2 | Bicyclicpyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-02-07 | — | — | US | disclosed |
| EP-2888245-B1 | NEW BICYCLICPYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2016-09-21 | — | — | EP | disclosed |
| US-20150368256-A1 | NEW BICYCLICPYRIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2015-12-24 | — | — | US | disclosed |
| US-20140336208-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-13 | — | — | US | disclosed |
| US-8815881-B2 | 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-08-26 | — | — | US | disclosed |
| EP-2603496-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-19 | — | — | EP | disclosed |
| CN-103068806-A | 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds | SIENA BIOTECH SPA | 2013-04-24 | — | — | CN | disclosed |
| WO-2012019966-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | WO | disclosed |
| US-20120035195-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | SIENA BIOTECH S.P.A., AN ITALIAN COMPANY (IT) | 2012-02-09 | — | — | US | disclosed |
| WO-2011043817-A1 | COFERONS AND METHODS OF MAKING AND USING THEM | CORNELL UNIVERSITY (US) | 2011-04-14 | — | — | WO | disclosed |