⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14878 | 1.00 | — | — | |
| Hexane SCHEMBL28509886 | 0.87 | CCR2 (0.38) | — | |
| SCHEMBL5155720 | 0.86 | — | — | |
| SCHEMBL34015 | 0.85 | CCR2 (0.43) | — | |
| SCHEMBL9901036 | 0.85 | CCR2 (0.43) | — | |
| SCHEMBL29221977 | 0.83 | CCR2 (0.42) | — | |
| SCHEMBL2549849 | 0.83 | CCR2 (0.42) | — | |
| SCHEMBL31074860 | 0.83 | CCR2 (0.42) | — | |
| SCHEMBL5507855 | 0.83 | CCR2 (0.42) | — | |
| SCHEMBL17101670 | 0.83 | CCR2 (0.42) | — |
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-103153950-A | Serotonin reuptake inhibitor | THERAVANCE INC | 2013-06-12 | — | — | CN | disclosed |