⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14378055 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL14378012 | 0.80 | MMP9 (0.33) | — | |
| SCHEMBL9800283 | 0.80 | GRIN1 (0.33) | — | |
| SCHEMBL14554863 | 0.74 | — | — | |
| SCHEMBL14554790 | 0.73 | DUT (0.32) | — | |
| SCHEMBL21133710 | 0.71 | — | — | |
| SCHEMBL21408162 | 0.69 | MMP9 (0.32) | — | |
| Tert-Butyl Formate SCHEMBL28026716 | 0.69 | TDP1 (0.35) | — | |
| SCHEMBL31472482 | 0.69 | — | — | |
| SCHEMBL6942322 | 0.69 | LMNA (0.40) | — |
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-10906875-B2 | Quaternary heteroatom containing compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2021-02-02 | — | — | US | disclosed |
| US-20200157049-A1 | QUATERNARY HETEROATOM CONTAINING COMPOUNDS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2020-05-21 | — | — | US | disclosed |