⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18102695 | 0.73 | — | — | |
| SCHEMBL4490176 | 0.71 | — | — | |
| SCHEMBL16748994 | 0.71 | — | — | |
| SCHEMBL17835218 | 0.67 | — | — | |
| SCHEMBL10404 | 0.66 | — | — | |
| SCHEMBL5904396 | 0.66 | — | — | |
| SCHEMBL18091703 | 0.66 | — | — | |
| SCHEMBL17818940 | 0.66 | SLC6A4 (0.31) | — | |
| SCHEMBL20054180 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL17818921 | 0.64 | SLC6A4 (0.30) | — |
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-105073747-A | Heterocyclic compounds and their use | PLEXXIKON INC | 2015-11-18 | — | — | CN | disclosed |