⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10031673 | 0.73 | — | — | |
| SCHEMBL23233734 | 0.73 | — | — | |
| SCHEMBL12962901 | 0.73 | — | — | |
| SCHEMBL11038962 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL6290262 | 0.70 | CFTR (0.35) | — | |
| SCHEMBL5489169 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL7477044 | 0.68 | TP53 (0.30) | — | |
| SCHEMBL14398442 | 0.68 | PTPN22 (0.37) | — | |
| SCHEMBL3911165 | 0.67 | PTPN22 (0.34) | — | |
| SCHEMBL12354903 | 0.67 | CYP19A1 (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 |
|---|---|---|---|---|---|---|---|
| EP-3674295-A1 | HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2020-07-01 | — | — | EP | disclosed |