⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8646654 | 0.87 | — | — | |
| SCHEMBL8018529 | 0.82 | — | — | |
| SCHEMBL1019098 | 0.82 | — | — | |
| SCHEMBL29968249 | 0.82 | — | — | |
| SCHEMBL862074 | 0.82 | — | — | |
| SCHEMBL8718286 | 0.82 | — | — | |
| SCHEMBL1052468 | 0.82 | — | — | |
| SCHEMBL7740643 | 0.82 | — | — | |
| SCHEMBL161080 | 0.82 | — | — | |
| SCHEMBL10415122 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0557790-B1 | Process for producing isobutylene by oxidative dehydrogenation of isobutane | SUMITOMO CHEMICAL CO (JP) | 1998-08-19 | — | — | EP | disclosed |
| US-3873633-A | Processes for dehydrogenation of hydrocarbons | PHILLIPS PETROLEUM CO | 1975-03-25 | — | — | US | disclosed |