⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11235974 | 0.88 | HTR2C (0.38) | — | |
| SCHEMBL1502312 | 0.81 | CA12 (0.54) | — | |
| SCHEMBL10481162 | 0.78 | CA12 (0.52) | — | |
| Phenylacetylene SCHEMBL28319897 | 0.77 | APP (0.41) | — | |
| SCHEMBL29728987 | 0.75 | — | — | |
| SCHEMBL6841310 | 0.75 | — | — | |
| SCHEMBL17447241 | 0.75 | APP (0.46) | — | |
| SCHEMBL178623 | 0.75 | — | — | |
| SCHEMBL14037084 | 0.75 | — | — | |
| SCHEMBL27725899 | 0.74 | CA12 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017028745-A1 | SUBSTITUTED MALONAMIDES AND THEIR USE AS ANTIBACTERIAL DRUGS | SHIAU CHUNG-WAI (CN) | 2017-02-23 | — | — | WO | disclosed |
| US-20100240908-A1 | ACETYLENE COMPOUND | FUJIFILM CORPORATION (JP) | 2010-09-23 | — | — | US | disclosed |
| EP-2202221-A1 | ACETYLENE COMPOUND | Fujifilm Corporation (JP) | 2010-06-30 | — | — | EP | disclosed |