⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3807551 | 0.83 | STAT3 (0.33) | — | |
| SCHEMBL15978544 | 0.78 | STAT3 (0.32) | — | |
| SCHEMBL10747842 | 0.67 | — | — | |
| SCHEMBL5141296 | 0.67 | MAOA (0.44) | — | |
| SCHEMBL7735058 | 0.67 | ACHE (0.47) | — | |
| SCHEMBL1140705 | 0.64 | MEN1 (0.47) | — | |
| SCHEMBL10929858 | 0.64 | — | — | |
| Phosphine SCHEMBL14764881 | 0.63 | MEN1 (0.46) | — | |
| SCHEMBL11238835 | 0.63 | — | — | |
| SCHEMBL8160137 | 0.63 | ALDH1A1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11008596-B2 | Cytochrome P450 BM3 enzyme variants for preparation of cyclopropanes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2021-05-18 | — | — | US | disclosed |
| US-20190211367-A1 | VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-07-11 | — | — | US | disclosed |
| US-10208322-B2 | In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-02-19 | — | — | US | disclosed |
| 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-9487471-B1 | Synthesis of pyrethroids and pyrethroid-containing compositions | PROVIVI, INC. (US) | 2016-11-08 | — | — | 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 |