⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28664295 | 0.80 | NFKB1 (0.38) | — | |
| SCHEMBL6557674 | 0.73 | LMNA (0.39) | — | |
| SCHEMBL1147321 | 0.73 | DGKA (0.48) | — | |
| SCHEMBL28274858 | 0.70 | FFAR4 (0.49) | — | |
| SCHEMBL27889887 | 0.69 | DGKA (0.44) | — | |
| SCHEMBL28302777 | 0.68 | FOLH1 (0.42) | — | |
| SCHEMBL27806009 | 0.68 | KDM4C (0.34) | — | |
| SCHEMBL28826557 | 0.67 | CYP2D6 (0.38) | — | |
| SCHEMBL28015527 | 0.64 | FFAR4 (0.57) | — | |
| SCHEMBL27842613 | 0.64 | DGKA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113563180-A | (E) Preparation method of (E) -4-ene-1, 8-octanedioic acid | 广东嘉博制药有限公司 | 2021-10-29 | — | — | CN | disclosed |