⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL19834636 | 0.75 | — | — | |
| SCHEMBL14080933 | 0.73 | — | — | |
| SCHEMBL514012 | 0.73 | — | — | |
| SCHEMBL12386530 | 0.73 | — | — | |
| SCHEMBL775217 | 0.67 | — | — | |
| SCHEMBL3332455 | 0.67 | — | — | |
| SCHEMBL5197114 | 0.67 | — | — | |
| SCHEMBL3332459 | 0.67 | — | — | |
| SCHEMBL5199835 | 0.67 | — | — | |
| SCHEMBL1006379 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0912572-B1 | BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | GLAXO GROUP LTD (GB) | 2003-01-15 | — | — | EP | claimed |
| US-20170128342-A1 | REDUCTIVE COLOR REMOVAL USING SULFINIC ACID DERIVATIVES IN PASTE | HENKEL AG & CO. KGAA (DE) | 2017-05-11 | — | — | US | disclosed |
| US-20140309192-A1 | MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC, | 2014-10-16 | — | — | US | disclosed |