⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20174678 | 0.81 | AR (0.38) | — | |
| SCHEMBL20174674 | 0.80 | NPC1 (0.34) | — | |
| SCHEMBL20174681 | 0.75 | ACACA (0.38) | — | |
| SCHEMBL20174646 | 0.73 | KDM4E (0.38) | — | |
| SCHEMBL20174682 | 0.73 | LMNA (0.35) | — | |
| SCHEMBL20174666 | 0.73 | ACACA (0.38) | — | |
| SCHEMBL20174676 | 0.73 | CYP1A2 (0.38) | — | |
| SCHEMBL20174680 | 0.71 | ACACA (0.37) | — | |
| SCHEMBL20174675 | 0.71 | KDM4E (0.45) | — | |
| SCHEMBL20174617 | 0.70 | CYP1A1 (0.37) | — |
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 |