⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL433628 | 0.65 | — | — | |
| SCHEMBL1682435 | 0.65 | — | — | |
| SCHEMBL7240192 | 0.65 | — | — | |
| SCHEMBL2839440 | 0.65 | — | — | |
| SCHEMBL18742872 | 0.65 | — | — | |
| SCHEMBL7240190 | 0.65 | — | — | |
| SCHEMBL5914666 | 0.65 | — | — | |
| SCHEMBL352211 | 0.65 | — | — | |
| SCHEMBL2617349 | 0.65 | — | — | |
| SCHEMBL17802760 | 0.65 | — | — |
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 |