⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4054319 | 0.90 | LCK (0.45) | — | |
| SCHEMBL7156618 | 0.82 | — | — | |
| SCHEMBL18107313 | 0.82 | DNM1 (0.45) | — | |
| SCHEMBL28758001 | 0.81 | — | — | |
| SCHEMBL3799305 | 0.79 | DNM1 (0.43) | — | |
| SCHEMBL1484293 | 0.77 | DNM1 (0.48) | — | |
| SCHEMBL597312 | 0.77 | — | — | |
| SCHEMBL1003367 | 0.77 | — | — | |
| SCHEMBL18107274 | 0.74 | DNM1 (0.52) | — | |
| SCHEMBL18107347 | 0.74 | DNM1 (0.52) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101547888-A | Acetylenic compounds | COMMW SCIENT IND RES ORG (AU) | 2009-09-30 | — | — | CN | claimed |
| EP-2059496-A1 | ACETYLENIC COMPOUNDS | Commonwealth Scientific and Industrial Research Organisation (AU) | 2009-05-20 | — | — | EP | claimed |
| WO-2008031157-A1 | ACETYLENIC COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2008-03-20 | — | — | WO | claimed |
| CN-101547888-A | Acetylenic compounds | COMMW SCIENT IND RES ORG (AU) | 2009-09-30 | — | — | CN | disclosed |
| EP-2059496-A1 | ACETYLENIC COMPOUNDS | Commonwealth Scientific and Industrial Research Organisation (AU) | 2009-05-20 | — | — | EP | disclosed |
| WO-2008031157-A1 | ACETYLENIC COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2008-03-20 | — | — | WO | disclosed |