⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18821843 | 0.75 | — | — | |
| SCHEMBL4534997 | 0.69 | — | — | |
| SCHEMBL14770091 | 0.65 | — | — | |
| SCHEMBL16944044 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL16481950 | 0.63 | — | — | |
| SCHEMBL19913391 | 0.61 | LMNA (0.32) | — | |
| SCHEMBL3403819 | 0.60 | — | — | |
| SCHEMBL19595576 | 0.59 | — | — | |
| SCHEMBL19257478 | 0.59 | — | — | |
| SCHEMBL2663108 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9809591-B2 | Heterocyclic modulators of lipid synthesis | 3-V BIOSCIENCES, INC. (US) | 2017-11-07 | — | — | US | disclosed |