⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2642915 | 0.84 | — | — | |
| SCHEMBL2256127 | 0.84 | — | — | |
| SCHEMBL442405 | 0.83 | SLC6A3 (0.47) | — | |
| SCHEMBL2643512 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL27615021 | 0.82 | SLC6A3 (0.46) | — | |
| Hydrochloric Acid SCHEMBL10988638 | 0.82 | SLC6A3 (0.46) | — | |
| Hydrochloric Acid SCHEMBL21879694 | 0.82 | SLC6A3 (0.46) | — | |
| Hydrochloric Acid SCHEMBL457520 | 0.82 | SLC6A3 (0.46) | — | |
| SCHEMBL12951903 | 0.78 | SLC6A3 (0.44) | — | |
| SCHEMBL15356506 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2613785-B1 | HETEROARYLMETHYL AMIDES | HOFFMANN LA ROCHE (CH) | 2015-07-29 | — | — | EP | disclosed |
| US-9090599-B2 | Heteroarylmethyl amides | HOFFMANN-LA ROCHE INC. (US) | 2015-07-28 | — | — | US | disclosed |
| WO-2014165827-A1 | PPAR AGONISTS | SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) | 2014-10-09 | — | — | WO | disclosed |
| US-20140194436-A1 | HETEROARYLMETHYL AMIDES | HOFFMANN-LA ROCHE INC. (US) | 2014-07-10 | — | — | US | disclosed |
| US-8729105-B2 | Heteroarylmethyl amides | HOFFMANN LA-ROCHE INC. (US) | 2014-05-20 | — | — | US | disclosed |
| EP-2613785-A1 | HETEROARYLMETHYL AMIDES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-07-17 | — | — | EP | disclosed |
| US-20120065212-A1 | HETEROARYLMETHYL AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | US | disclosed |
| WO-2012032018-A1 | HETEROARYLMETHYL AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | WO | disclosed |