⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25855133 | 0.86 | ACACA (0.36) | — | |
| SCHEMBL24066109 | 0.86 | TP53 (0.31) | — | |
| SCHEMBL24586561 | 0.80 | MAPT (0.30) | — | |
| SCHEMBL26549324 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL24586538 | 0.80 | KDM4E (0.30) | — | |
| SCHEMBL24066090 | 0.79 | TP53 (0.31) | — | |
| SCHEMBL26420659 | 0.79 | KMT2A (0.35) | — | |
| SCHEMBL24586403 | 0.78 | MAPT (0.36) | — | |
| SCHEMBL24066223 | 0.77 | ENPP1 (0.40) | — | |
| SCHEMBL27390653 | 0.75 | PLA2G2A (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 |
|---|---|---|---|---|---|---|---|
| WO-2021132984-A1 | HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DIODE | 엘티소재주식회사 | 2021-07-01 | — | — | WO | disclosed |