⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL516008 | 0.90 | ALDH1A1 (0.36) | — | |
| SCHEMBL13333805 | 0.90 | ALDH1A1 (0.36) | — | |
| SCHEMBL9449773 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL515788 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL1373549 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL17277743 | 0.84 | NEK2 (0.31) | — | |
| SCHEMBL3728133 | 0.84 | — | — | |
| SCHEMBL4409815 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL11956609 | 0.81 | ALOX5 (0.30) | — | |
| SCHEMBL12087982 | 0.81 | HTR2A (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118076354-A | Methods of treating migraine with MNK inhibitors | 4E治疗公司 | 2024-05-24 | — | — | CN | disclosed |
| EP-4363419-A1 | SPIROCYCLIC PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE | 4E Therapeutics, Inc. (US) | 2024-05-08 | — | — | EP | disclosed |
| WO-2023278686-A1 | SPIROCYCLIC PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE | 4E THERAPEUTICS, INC. (US) | 2023-01-05 | — | — | WO | disclosed |
| US-5471003-A | Catalytic hydrogenation then distillation to remove butyraldehyde | EASTMAN CHEMICAL COMPANY (US) | 1995-11-28 | — | — | US | disclosed |