⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17688543 | 0.82 | — | — | |
| SCHEMBL26756536 | 0.78 | LTA4H (0.31) | — | |
| SCHEMBL791126 | 0.77 | — | — | |
| SCHEMBL11667201 | 0.74 | LTA4H (0.31) | — | |
| SCHEMBL9110599 | 0.74 | LTA4H (0.31) | — | |
| SCHEMBL17688544 | 0.71 | CXCR4 (0.37) | — | |
| SCHEMBL9109822 | 0.70 | — | — | |
| SCHEMBL9110587 | 0.70 | — | — | |
| SCHEMBL9113698 | 0.69 | CXCR4 (0.33) | — | |
| SCHEMBL5055550 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1022105-C | Process for preparing dihydro benzothiophene | SCHELING CO (US) | 1993-09-15 | — | — | CN | disclosed |
| CN-86105964-A | Dihydrobenzo [ b ] thiophenes and formulations thereof for use as antifungal agents | — | 1987-03-11 | — | — | CN | disclosed |