⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20174299 | 0.89 | ENPP3 (0.31) | — | |
| SCHEMBL20174293 | 0.88 | PIM1 (0.30) | — | |
| SCHEMBL20174713 | 0.84 | PIM1 (0.33) | — | |
| SCHEMBL20174298 | 0.82 | L3MBTL1 (0.31) | — | |
| SCHEMBL20174250 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL20174249 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL20174277 | 0.80 | PIM1 (0.36) | — | |
| SCHEMBL20174238 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL22326575 | 0.79 | — | — | |
| SCHEMBL20174253 | 0.77 | CYP1A1 (0.40) | — |
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-10738034-B2 | Spiro compound and organic light-emitting device comprising same | LG CHEM, LTD. (KR) | 2020-08-11 | — | — | US | disclosed |