⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20457795 | 0.88 | — | — | |
| SCHEMBL4923219 | 0.65 | MAPT (0.41) | — | |
| SCHEMBL31228732 | 0.65 | MAPT (0.41) | — | |
| SCHEMBL1534033 | 0.61 | APP (0.32) | — | |
| SCHEMBL4921439 | 0.59 | BCKDK (0.44) | — | |
| SCHEMBL4921472 | 0.59 | ESR1 (0.36) | — | |
| SCHEMBL22506072 | 0.58 | ALDH1A1 (0.41) | — | |
| SCHEMBL15453146 | 0.57 | GPR3 (0.61) | — | |
| SCHEMBL24088697 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL4921017 | 0.56 | ALDH1A1 (0.34) | — |
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-10040794-B2 | Condensed cyclic compound and organic light-emitting device including the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2018-08-07 | — | — | US | disclosed |