⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9876411 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL29683349 | 0.61 | — | — | |
| SCHEMBL8855845 | 0.56 | LMNA (0.32) | — | |
| SCHEMBL10986439 | 0.55 | LMNA (0.61) | — | |
| SCHEMBL28840762 | 0.55 | TAS1R3 (0.37) | — | |
| SCHEMBL6429451 | 0.54 | NPC1 (0.55) | — | |
| SCHEMBL8401749 | 0.54 | CYP2C9 (0.33) | — | |
| SCHEMBL21515413 | 0.54 | — | — | |
| SCHEMBL289887 | 0.54 | GAA (0.68) | — | |
| SCHEMBL10576894 | 0.53 | MAPT (0.63) | — |
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-20080161395-A1 | Derivatives of Aminobutanoic Acid Inhibiting Cpt | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2008-07-03 | — | — | US | disclosed |