⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL635055 | 0.70 | MAPT (0.39) | — | |
| SCHEMBL27500197 | 0.70 | MAPT (0.37) | — | |
| SCHEMBL2825797 | 0.70 | MAPT (0.39) | — | |
| SCHEMBL1904432 | 0.70 | BRD4 (0.38) | — | |
| SCHEMBL20320362 | 0.65 | LMNA (0.42) | — | |
| SCHEMBL28205729 | 0.62 | — | — | |
| SCHEMBL68794 | 0.60 | GAA (0.35) | — | |
| SCHEMBL11776593 | 0.60 | — | — | |
| SCHEMBL2839440 | 0.60 | — | — | |
| SCHEMBL18742872 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023088435-A1 | PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR | 成都奥睿药业有限公司 | 2023-05-25 | — | — | WO | disclosed |
| WO-2014116684-A1 | NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS | ROBERTS EDWARD (US) | 2014-07-31 | — | — | WO | disclosed |