⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL27008656 | 0.74 | — | — | |
| SCHEMBL1706040 | 0.74 | — | — | |
| SCHEMBL8173104 | 0.74 | — | — | |
| Water SCHEMBL27754559 | 0.74 | — | — | |
| Iodide SCHEMBL28880225 | 0.74 | — | — | |
| SCHEMBL28139194 | 0.74 | — | — | |
| SCHEMBL28139836 | 0.74 | — | — | |
| SCHEMBL27658422 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28069531 | 0.72 | — | — | |
| SCHEMBL27817414 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170362201-A1 | COT MODULATORS AND METHODS OF USE THEREOF | GILEAD SCIENCES, INC. | 2017-12-21 | — | — | US | disclosed |