⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19918247 | 0.75 | — | — | |
| SCHEMBL4594441 | 0.74 | — | — | |
| SCHEMBL21170308 | 0.67 | — | — | |
| SCHEMBL11694164 | 0.66 | — | — | |
| SCHEMBL105321 | 0.64 | — | — | |
| SCHEMBL14401317 | 0.64 | — | — | |
| SCHEMBL109867 | 0.64 | — | — | |
| SCHEMBL109866 | 0.64 | — | — | |
| SCHEMBL57218 | 0.64 | — | — | |
| SCHEMBL57219 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180056716-A1 | ORGANOLITHIUM COMPOUND, METHOD FOR PREPARING MODIFIED CONJUGATED DIENE-BASED POLYMER USING THE SAME, AND MODIFIED CONJUGATED DIENE-BASED POLYMER | LG CHEM, LTD. (KR) | 2018-03-01 | — | — | US | disclosed |