⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28577065 | 0.98 | — | — | |
| SCHEMBL5021487 | 0.85 | — | — | |
| SCHEMBL27521887 | 0.85 | — | — | |
| SCHEMBL23418534 | 0.83 | LTA4H (0.41) | — | |
| SCHEMBL21267964 | 0.83 | LTA4H (0.41) | — | |
| Hydrochloric Acid SCHEMBL27806461 | 0.83 | CHRNA3 (0.40) | — | |
| SCHEMBL28254273 | 0.81 | CYP2D6 (0.43) | — | |
| Hydrochloric Acid SCHEMBL28272703 | 0.81 | LTA4H (0.41) | — | |
| SCHEMBL28148176 | 0.80 | — | — | |
| SCHEMBL28101864 | 0.77 | — | — |
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-104583211-A | Compounds and methods for antiviral therapy | GILEAD SCIENCES INC | 2015-04-29 | — | — | CN | disclosed |