⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL8869256 | 0.83 | — | — | |
| SCHEMBL8868305 | 0.82 | PTGS1 (0.30) | — | |
| SCHEMBL5674852 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL8532967 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL5671989 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL8537504 | 0.71 | TTPA (0.37) | — | |
| SCHEMBL976105 | 0.69 | — | — | |
| Alcohol SCHEMBL8867586 | 0.68 | — | — | |
| SCHEMBL9667540 | 0.67 | CYP2A6 (0.34) | — | |
| SCHEMBL5674769 | 0.63 | PTGS1 (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1177962-A | Process for preparing 2, 3-dihydro-benzofuranol derivatives | HOECHST MARION ROUSSEL INC (US) | 1998-04-01 | — | — | CN | disclosed |
| EP-0813530-A1 | NOVEL PROCESS FOR PREPARING 2,3-DIHYDRO-BENZOFURANOL DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1997-12-29 | — | — | EP | disclosed |
| US-5698696-A | Process for preparing 2,3-dihydro-benzofuranol derivatives | HOECHST MARION ROUSSEL, INC. (US) | 1997-12-16 | — | — | US | disclosed |