⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17780251 | 0.94 | TSHR (0.35) | — | |
| SCHEMBL25613786 | 0.88 | — | — | |
| SCHEMBL17780140 | 0.87 | CA1 (0.35) | — | |
| SCHEMBL11940418 | 0.87 | CA1 (0.35) | — | |
| SCHEMBL17780148 | 0.87 | CA1 (0.35) | — | |
| SCHEMBL17780150 | 0.87 | CA1 (0.35) | — | |
| SCHEMBL17776602 | 0.86 | ADRB2 (0.33) | — | |
| SCHEMBL17778138 | 0.84 | FUCA1 (0.42) | — | |
| SCHEMBL17780138 | 0.83 | IRAK1 (0.30) | — | |
| SCHEMBL17780139 | 0.83 | IRAK1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3221306-B1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-11-13 | — | — | EP | disclosed |
| US-9790221-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2017-10-17 | — | — | US | disclosed |
| US-20160145252-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-05-26 | — | — | US | disclosed |