⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25117604 | 0.70 | DRD2 (0.41) | — | |
| SCHEMBL26068499 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL21671134 | 0.64 | TNKS2 (0.40) | — | |
| SCHEMBL5876644 | 0.63 | MAPK10 (0.46) | — | |
| SCHEMBL5876273 | 0.63 | CSF1R (0.36) | — | |
| SCHEMBL17880964 | 0.62 | — | — | |
| SCHEMBL14652713 | 0.62 | — | — | |
| SCHEMBL8856065 | 0.62 | — | — | |
| SCHEMBL5877349 | 0.60 | ERBB2 (0.36) | — | |
| SCHEMBL2307927 | 0.60 | HTR2A (0.43) | — |
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-4074706-A1 | DEUTERATED HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE | LG Display Co., Ltd. (KR) | 2022-10-19 | — | — | EP | disclosed |