⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8675518 | 0.78 | MAPT (0.43) | — | |
| SCHEMBL27777564 | 0.76 | CYP3A4 (0.39) | — | |
| SCHEMBL15831116 | 0.75 | MAPT (0.45) | — | |
| SCHEMBL3072970 | 0.75 | CYP3A4 (0.38) | — | |
| SCHEMBL9348170 | 0.74 | MAPT (0.54) | — | |
| SCHEMBL108518 | 0.72 | — | — | |
| SCHEMBL21247206 | 0.72 | — | — | |
| SCHEMBL7745391 | 0.71 | MAPT (0.46) | — | |
| SCHEMBL16914676 | 0.71 | MAPT (0.41) | — | |
| SCHEMBL25101326 | 0.70 | MAPT (0.41) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109689649-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2022-07-19 | — | — | CN | disclosed |
| US-10730868-B2 | Bicyclic heteroaryl substituted compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-04 | — | — | US | disclosed |
| EP-3484881-B1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2020-04-29 | — | — | EP | disclosed |
| US-20190300520-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2019-10-03 | — | — | US | disclosed |
| WO-2018013770-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | 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 |
| US-4168280-A | Method for synthesis of 2-hydroxy-3-methyl cyclopent-2-ene-1-one | EL PASO PRODUCTS COMPANY (US) | 1979-09-18 | — | — | US | disclosed |