⚠ 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 | |
|---|---|---|---|---|
| Thymine SCHEMBL2322416 | 0.70 | — | — | |
| SCHEMBL149516 | 0.69 | — | — | |
| Water SCHEMBL29599612 | 0.67 | — | — | |
| SCHEMBL4752885 | 0.67 | DHFR (0.37) | — | |
| SCHEMBL12845996 | 0.67 | — | — | |
| SCHEMBL31254904 | 0.65 | IDO1 (0.32) | — | |
| SCHEMBL12203156 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL11058942 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL12106737 | 0.65 | — | — | |
| SCHEMBL14048734 | 0.65 | DHFR (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-8227613-B2 | Heteroaryl carboxamide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-07-24 | — | — | US | disclosed |
| EP-2297137-A1 | NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| US-20090318467-A1 | NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2009-12-24 | — | — | US | disclosed |
| WO-2009153182-A1 | NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |