⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20457794 | 0.88 | — | — | |
| SCHEMBL13783207 | 0.65 | GPR3 (0.39) | — | |
| SCHEMBL22506072 | 0.58 | ALDH1A1 (0.41) | — | |
| SCHEMBL7912381 | 0.57 | GPR3 (0.61) | — | |
| SCHEMBL23624561 | 0.56 | GPR3 (0.31) | — | |
| SCHEMBL18550534 | 0.56 | IDO1 (0.36) | — | |
| SCHEMBL15907505 | 0.56 | EPM2A (0.45) | — | |
| SCHEMBL18302030 | 0.54 | LIMK1 (0.37) | — | |
| SCHEMBL16693331 | 0.54 | LIMK1 (0.38) | — | |
| SCHEMBL6886529 | 0.53 | KDM4E (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-10040794-B2 | Condensed cyclic compound and organic light-emitting device including the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2018-08-07 | — | — | US | disclosed |