⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24453311 | 0.86 | CYP11B1 (0.33) | — | |
| SCHEMBL21669920 | 0.85 | CYP1A2 (0.30) | — | |
| SCHEMBL23606108 | 0.82 | KDM4E (0.30) | — | |
| SCHEMBL22580243 | 0.82 | — | — | |
| SCHEMBL23277740 | 0.78 | — | — | |
| SCHEMBL25102097 | 0.77 | — | — | |
| SCHEMBL22332361 | 0.76 | — | — | |
| SCHEMBL23159563 | 0.75 | GRM5 (0.34) | — | |
| SCHEMBL20715415 | 0.74 | — | — | |
| SCHEMBL24563036 | 0.73 | HDAC1 (0.31) | — |
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 3 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 | disclosed |
| WO-2019025099-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-07 | — | — | WO | disclosed |
| WO-2018053126-A1 | INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF | VANDERBILT UNIVERSITY (US) | 2018-03-22 | — | — | WO | disclosed |