⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL102903 | 0.84 | — | — | |
| SCHEMBL2154068 | 0.84 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL1513767 | 0.81 | — | — | |
| SCHEMBL2708082 | 0.78 | — | — | |
| SCHEMBL16877924 | 0.78 | — | — | |
| SCHEMBL12582617 | 0.78 | — | — | |
| SCHEMBL14641005 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL14640948 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL25040974 | 0.75 | — | — | |
| SCHEMBL25040506 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018089904-A1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | 3-V BIOSCIENCES, INC. (US) | 2018-05-17 | — | — | WO | disclosed |