⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11240411 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL29257278 | 0.80 | — | — | |
| SCHEMBL1704982 | 0.76 | — | — | |
| SCHEMBL10621157 | 0.76 | — | — | |
| SCHEMBL7886618 | 0.73 | — | — | |
| SCHEMBL1727996 | 0.72 | LMNA (0.32) | — | |
| SCHEMBL3209219 | 0.70 | CHRM2 (0.36) | — | |
| Methacrylic Acid SCHEMBL28962999 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL5548486 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL29580326 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109608436-B | Substituted methyl formyl reagents and methods of using same to improve physicochemical and/or pharmacokinetic properties of compounds | 斯法尔制药私人有限公司 | 2022-10-11 | — | — | CN | disclosed |
| EP-1597628-A1 | COLORED STEREOLITHOGRAPHIC RESINS | 3D SYSTEMS, INC. (US) | 2005-11-23 | — | — | EP | disclosed |
| WO-2004077157-A1 | COLORED STEREOLITHOGRAPHIC RESINS | 3D SYSTEMS, INC. (US) | 2004-09-10 | — | — | WO | disclosed |
| US-20040170923-A1 | Colored stereolithographic resins | 3D SYSTEMS, INC. | 2004-09-02 | — | — | US | disclosed |
| EP-0098569-A2 | Heterocyclically substituted sulfonyl ureas, process for their preparation and their use in agriculture | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-01-18 | — | — | EP | disclosed |