⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21451689 | 0.95 | ALDH1A1 (0.31) | — | |
| SCHEMBL24812301 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL19564197 | 0.89 | CYP2A6 (0.32) | — | |
| SCHEMBL20857860 | 0.89 | MAPT (0.34) | — | |
| SCHEMBL23029096 | 0.88 | PER2 (0.30) | — | |
| SCHEMBL24824043 | 0.85 | THRB (0.32) | — | |
| SCHEMBL21127372 | 0.84 | — | — | |
| SCHEMBL22047563 | 0.84 | TP53 (0.30) | — | |
| SCHEMBL23029149 | 0.84 | — | — | |
| SCHEMBL20857830 | 0.83 | SRC (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210057650-A1 | AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | LG CHEM, LTD. (KR) | 2021-02-25 | — | — | US | disclosed |
| WO-2019194617-A1 | AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | 주식회사 엘지화학 | 2019-10-10 | — | — | WO | disclosed |