⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21850561 | 0.80 | — | — | |
| SCHEMBL21318242 | 0.80 | — | — | |
| SCHEMBL19020398 | 0.78 | — | — | |
| SCHEMBL19524026 | 0.77 | ADH1B (0.39) | — | |
| SCHEMBL23033238 | 0.75 | — | — | |
| SCHEMBL24006562 | 0.75 | — | — | |
| SCHEMBL23233162 | 0.75 | — | — | |
| SCHEMBL21280123 | 0.73 | MEN1 (0.38) | — | |
| SCHEMBL22097839 | 0.72 | — | — | |
| SCHEMBL21149415 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3816164-B9 | ISOTHIAZOLO[5,4-D]PYRIMIDINE COMPOUND AS IRAK4 INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2024-07-10 | — | — | EP | disclosed |
| EP-3475270-B1 | HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2020-02-26 | — | — | EP | disclosed |