Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4777058 | 0.87 | CCR5 (0.74) | CCR5KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4771023 | 0.85 | CCR5 (0.91) | CCR5KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4772796 | 0.84 | CCR5 (0.75) | CCR5KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4773299 | 0.84 | CCR5 (0.78) | CCR5KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4768572 | 0.84 | CCR5 (0.75) | CCR5KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4771896 | 0.83 | CCR5 (0.74) | CCR5KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4768111 | 0.83 | CCR5 (0.76) | CCR5KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4778881 | 0.82 | CCR5 (0.75) | CCR5KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4773773 | 0.82 | CCR5 (0.75) | CCR5KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4776874 | 0.82 | CCR5 (0.75) | CCR5KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1220842-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001025200-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-12 | — | — | WO | disclosed |