⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20019111 | 0.96 | NPSR1 (0.31) | — | |
| SCHEMBL22876500 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL21029199 | 0.79 | NPSR1 (0.40) | — | |
| SCHEMBL10071338 | 0.78 | — | — | |
| SCHEMBL20019074 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL132322 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL29512028 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL20403932 | 0.71 | — | — | |
| SCHEMBL24160317 | 0.71 | NPC1 (0.31) | — | |
| SCHEMBL7218845 | 0.71 | CYP2C19 (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 |
|---|---|---|---|---|---|---|---|
| EP-3739645-A2 | ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2020-11-18 | — | — | EP | disclosed |