⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL445170 | 0.80 | — | — | |
| SCHEMBL6497028 | 0.72 | — | — | |
| Formaldehyde SCHEMBL9014350 | 0.71 | APEX1 (0.38) | — | |
| SCHEMBL505953 | 0.69 | — | — | |
| SCHEMBL6223633 | 0.69 | — | — | |
| SCHEMBL2802995 | 0.67 | — | — | |
| SCHEMBL12967853 | 0.67 | — | — | |
| SCHEMBL10203543 | 0.67 | — | — | |
| SCHEMBL7874053 | 0.67 | — | — | |
| SCHEMBL9343491 | 0.67 | APEX1 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005020987-A1 | HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY | ASTRAZENECA AB (SE) | 2005-03-10 | — | — | WO | disclosed |
| US-4960940-A | Bis(hydroxyethylsulfonylmethyl)anilines and a process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-10-02 | — | — | US | disclosed |
| US-4719053-A | FOR DYES | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-01-12 | — | — | US | disclosed |
| US-4473498-A | Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-09-25 | — | — | US | disclosed |
| US-4473498-A | Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-09-25 | — | — | US | disclosed |
| US-3956219-A | DIVINYLBENZENE | ELI LILLY AND COMPANY (US) | 1976-05-11 | — | — | US | disclosed |