⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5054 | 1.00 | — | — | |
| SCHEMBL20465742 | 1.00 | — | — | |
| SCHEMBL4441044 | 0.97 | TAAR1 (0.52) | — | |
| SCHEMBL1538044 | 0.97 | TAAR1 (0.52) | — | |
| Water SCHEMBL450787 | 0.97 | TAAR1 (0.52) | — | |
| Benzene SCHEMBL28870609 | 0.97 | TAAR1 (0.52) | — | |
| Benzyl Bromide SCHEMBL6043969 | 0.89 | ALDH1A1 (0.61) | — | |
| Bicarbonate SCHEMBL16454532 | 0.85 | ALDH1A1 (0.43) | — | |
| SCHEMBL7364761 | 0.85 | CYP3A4 (0.48) | — | |
| Bicarbonate SCHEMBL16454533 | 0.85 | ALDH1A1 (0.43) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112424181-B | Substituted condensed thiophenes as STING modulators | 希泰克斯特私人有限公司 | 2024-02-27 | — | — | CN | disclosed |