⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6850213 | 0.78 | — | — | |
| SCHEMBL765868 | 0.73 | — | — | |
| SCHEMBL5679864 | 0.73 | — | — | |
| SCHEMBL1766381 | 0.73 | — | — | |
| SCHEMBL14548788 | 0.71 | — | — | |
| SCHEMBL1060304 | 0.71 | — | — | |
| SCHEMBL18426353 | 0.69 | — | — | |
| SCHEMBL14085976 | 0.69 | MEN1 (0.30) | — | |
| SCHEMBL23875760 | 0.69 | — | — | |
| SCHEMBL17656224 | 0.69 | TSHR (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024006776-A1 | ESTROGEN RECEPTOR ALPHA DEGRADERS AND MEDICAL USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2024-01-04 | — | — | WO | disclosed |
| EP-3828177-B1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) | 2023-11-29 | — | — | EP | disclosed |
| US-10392375-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2019-08-27 | — | — | US | disclosed |
| US-20170081317-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | US | disclosed |