⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3622641 | 0.76 | — | — | |
| Water SCHEMBL27696237 | 0.73 | — | — | |
| SCHEMBL4181582 | 0.72 | — | — | |
| SCHEMBL98452 | 0.70 | — | — | |
| SCHEMBL10424466 | 0.68 | — | — | |
| SCHEMBL21791416 | 0.68 | — | — | |
| SCHEMBL2194033 | 0.68 | — | — | |
| SCHEMBL21526813 | 0.68 | — | — | |
| Propanol SCHEMBL27404846 | 0.67 | — | — | |
| SCHEMBL133065 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2723741-B1 | SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS | ARQULE INC (US) | 2016-04-27 | — | — | EP | disclosed |
| US-20150080549-A1 | PEPTIDE-COMPOUND CYCLIZATION METHOD | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2015-03-19 | — | — | US | disclosed |
| US-20150050659-A1 | PROTECTED FLUORESCENT REAGENT COMPOUNDS | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. | 2015-02-19 | — | — | US | disclosed |
| EP-2346831-B1 | HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2015-01-07 | — | — | EP | disclosed |