⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10071237 | 0.73 | NPSR1 (0.46) | — | |
| SCHEMBL10071225 | 0.68 | KDM1A (0.50) | — | |
| SCHEMBL10071236 | 0.66 | MEN1 (0.47) | — | |
| SCHEMBL10071235 | 0.66 | KDM1A (0.42) | — | |
| SCHEMBL10071239 | 0.63 | LMNA (0.51) | — | |
| SCHEMBL10071234 | 0.63 | HSD11B1 (0.38) | — | |
| SCHEMBL10071228 | 0.62 | KMT2A (0.50) | — | |
| SCHEMBL21079005 | 0.60 | KDM1A (0.35) | — | |
| SCHEMBL9947422 | 0.56 | NLRP3 (0.43) | — | |
| SCHEMBL6232592 | 0.54 | VCP (0.39) | — |
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-8110699-B2 | Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates | UNIVERSITY OF SOUTH FLORIDA (US) | 2012-02-07 | — | — | US | disclosed |
| US-20100081838-A1 | Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates | UNIVERSITY OF SOUTH FLORIDA (US) | 2010-04-01 | — | — | US | disclosed |