⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5841 | 1.00 | — | — | |
| SCHEMBL11569 | 1.00 | — | — | |
| SCHEMBL30782439 | 1.00 | — | — | |
| SCHEMBL4922 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22365812 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL15390393 | 0.96 | — | — | |
| SCHEMBL8671265 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL25350924 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL10005745 | 0.78 | — | — | |
| SCHEMBL892248 | 0.78 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140336208-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-13 | — | — | US | claimed |
| US-8815881-B2 | 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-08-26 | — | — | US | claimed |
| EP-2603496-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-19 | — | — | EP | claimed |
| WO-2012019966-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | WO | claimed |
| 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 | claimed |
| 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 |
| CN-102348682-B | 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |
| EP-2411361-B1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-06-18 | — | — | EP | disclosed |
| CN-102356068-B | 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN LA ROCHE | 2014-04-23 | — | — | CN | disclosed |
| EP-2411365-B1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-03-19 | — | — | EP | disclosed |
| US-20130172335-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2013-07-04 | — | — | US | 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 |
| CN-102348682-A | 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN LA ROCHE | 2012-02-08 | — | — | CN | disclosed |
| EP-2411365-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| EP-2411361-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108903-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |
| US-20100249139-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-09-30 | — | — | US | disclosed |
| US-20100249124-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-09-30 | — | — | US | disclosed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |