⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2916327 | 0.81 | — | — | |
| SCHEMBL5242408 | 0.81 | — | — | |
| SCHEMBL220061 | 0.80 | — | — | |
| SCHEMBL3316452 | 0.80 | — | — | |
| SCHEMBL220060 | 0.80 | — | — | |
| SCHEMBL21342393 | 0.79 | CXCR4 (0.41) | — | |
| Hydrochloric Acid SCHEMBL7813735 | 0.78 | LTA4H (0.34) | — | |
| Hydrochloric Acid SCHEMBL27617015 | 0.78 | — | — | |
| SCHEMBL17477161 | 0.77 | CXCR4 (0.37) | — | |
| SCHEMBL6224053 | 0.77 | CXCR4 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2560973-A1 | MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF | Abbvie Inc. (US) | 2013-02-27 | — | — | EP | disclosed |