⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11241249 | 0.81 | APLNR (0.31) | — | |
| SCHEMBL11167953 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL11167955 | 0.79 | APLNR (0.30) | — | |
| SCHEMBL13006927 | 0.70 | FFAR3 (0.33) | — | |
| SCHEMBL13010645 | 0.69 | — | — | |
| SCHEMBL15977369 | 0.64 | — | — | |
| SCHEMBL12724371 | 0.64 | — | — | |
| SCHEMBL11209181 | 0.62 | — | — | |
| SCHEMBL27555408 | 0.60 | — | — | |
| SCHEMBL15977367 | 0.60 | FFAR3 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170247725-A1 | IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-08-31 | — | — | US | disclosed |
| US-9493799-B2 | In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-11-15 | — | — | US | disclosed |
| US-20160032330-A1 | P-450-CATALYZED ENANTIOSELECTIVE CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-02-04 | — | — | US | disclosed |
| US-20160002682-A1 | IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES | UNITED STATES DEPARTMENT OF ENERGY | 2016-01-07 | — | — | US | disclosed |
| US-8993262-B2 | In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2015-03-31 | — | — | US | disclosed |
| US-20140242647-A1 | IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2014-08-28 | — | — | US | disclosed |