⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL835383 | 0.79 | — | — | |
| SCHEMBL109935 | 0.79 | — | — | |
| SCHEMBL28413600 | 0.78 | — | — | |
| SCHEMBL843370 | 0.77 | ALDH1A1 (0.53) | — | |
| Furan SCHEMBL29051226 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL18863669 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL15279098 | 0.71 | — | — | |
| SCHEMBL13660532 | 0.71 | — | — | |
| SCHEMBL919246 | 0.71 | — | — | |
| Furfuryl Alcohol SCHEMBL27938418 | 0.70 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019027156-A1 | MODIFIER, METHOD FOR PREPARING SAME, AND MODIFIED CONJUGATED DIENE-BASED POLYMER COMPRISING SAME | 주식회사 엘지화학 | 2019-02-07 | — | — | WO | disclosed |