⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22338076 | 0.97 | — | — | |
| SCHEMBL16837368 | 0.82 | — | — | |
| SCHEMBL4250670 | 0.82 | — | — | |
| SCHEMBL13375766 | 0.82 | — | — | |
| SCHEMBL24450576 | 0.82 | — | — | |
| SCHEMBL29260485 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL18899582 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL10665033 | 0.75 | — | — | |
| SCHEMBL13377533 | 0.74 | — | — | |
| SCHEMBL14548790 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019243825-A1 | SMALL MOLECULE MODULATORS OF HUMAN STING, CONJUGATES AND THERAPEUTIC APPLICATIONS | CURADEV PHARMA LIMITED (GB) | 2019-12-26 | — | — | WO | disclosed |