⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30955 | 0.88 | — | — | |
| SCHEMBL8853321 | 0.85 | — | — | |
| SCHEMBL5516098 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL897323 | 0.85 | — | — | |
| Methoxymethane SCHEMBL4465617 | 0.83 | — | — | |
| Alcohol SCHEMBL15798418 | 0.80 | — | — | |
| SCHEMBL41920 | 0.79 | — | — | |
| SCHEMBL19179319 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL8999819 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL2834305 | 0.77 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9708236-B2 | Terminal alkene monoisomerization catalysts and methods | SAN DIEGO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2017-07-18 | — | — | US | disclosed |
| US-20150231621-A1 | TERMINAL ALKENE MONOISOMERIZATION CATALYSTS AND METHODS | SAN DIEGO STATE UNIVERSITY RESEARCH FOUNDATION | 2015-08-20 | — | — | US | disclosed |