⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1748458 | 0.73 | HTR2A (0.32) | — | |
| SCHEMBL6212284 | 0.73 | HTR2A (0.32) | — | |
| SCHEMBL30600144 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL27452633 | 0.73 | HTR2A (0.32) | — | |
| SCHEMBL1748796 | 0.73 | HTR2A (0.32) | — | |
| SCHEMBL24535981 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL4248559 | 0.71 | CHRNB4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL7008388 | 0.71 | HTR2A (0.34) | — | |
| Hydrochloric Acid SCHEMBL30207692 | 0.71 | HTR2A (0.34) | — | |
| Hydrochloric Acid SCHEMBL6406906 | 0.71 | HTR2A (0.34) | — |
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-2023020512-A1 | SUBSTITUTED PYRIDINE ANALOGUE, PREPARATION METHOD THEREFOR, AND USE THEREOF AS AHR MODULATOR | 成都奥睿药业有限公司 | 2023-02-23 | — | — | WO | claimed |
| WO-2023020512-A1 | SUBSTITUTED PYRIDINE ANALOGUE, PREPARATION METHOD THEREFOR, AND USE THEREOF AS AHR MODULATOR | 成都奥睿药业有限公司 | 2023-02-23 | — | — | WO | disclosed |