⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24121347 | 0.80 | — | — | |
| SCHEMBL12849003 | 0.78 | — | — | |
| SCHEMBL22536729 | 0.69 | KCNH2 (0.35) | — | |
| SCHEMBL12948114 | 0.69 | FBP1 (0.31) | — | |
| SCHEMBL14045027 | 0.68 | HCRTR2 (0.41) | — | |
| SCHEMBL12251594 | 0.67 | — | — | |
| SCHEMBL14693144 | 0.67 | — | — | |
| SCHEMBL14407044 | 0.64 | ELANE (0.31) | — | |
| SCHEMBL1132764 | 0.64 | — | — | |
| SCHEMBL12322166 | 0.61 | FBP1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8372984-B2 | Dual-acting oxazole antihypertensive agents | THERAVANCE, INC. (US) | 2013-02-12 | — | — | US | disclosed |