⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2026517 | 0.81 | HDAC1 (0.30) | — | |
| SCHEMBL2026520 | 0.81 | HDAC1 (0.30) | — | |
| SCHEMBL8221422 | 0.73 | — | — | |
| SCHEMBL4329499 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL2024055 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL5264176 | 0.67 | TSHR (0.43) | — | |
| Acetic Acid SCHEMBL29079444 | 0.66 | CHRNB2 (0.38) | — | |
| SCHEMBL2027235 | 0.65 | — | — | |
| Acetic Acid SCHEMBL29079443 | 0.63 | CHRNB2 (0.36) | — | |
| Acetic Acid SCHEMBL60591 | 0.63 | HSD17B10 (0.50) | — |
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-2516434-A1 | FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011079051-A1 | FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-06-30 | — | — | WO | disclosed |