⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL94450 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6618909 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10688336 | 0.97 | — | — | |
| SCHEMBL7591874 | 0.74 | PDPK1 (0.34) | — | |
| SCHEMBL13884660 | 0.73 | — | — | |
| SCHEMBL64373 | 0.71 | — | — | |
| SCHEMBL14080654 | 0.71 | — | — | |
| SCHEMBL17293092 | 0.71 | — | — | |
| SCHEMBL17292970 | 0.71 | — | — | |
| SCHEMBL9933191 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8680274-B2 | Bent allenes, and their metal complexes | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-03-25 | — | — | US | disclosed |
| US-20110021775-A1 | BENT ALLENES, AND THEIR METAL COMPLEXES | NATIONAL SCIENCE FOUNDATION | 2011-01-27 | — | — | US | disclosed |
| WO-2009089483-A1 | BENT ALLENES, AND THEIR METAL COMPLEXES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-07-16 | — | — | WO | disclosed |