⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23511664 | 0.98 | — | — | |
| SCHEMBL23511608 | 0.98 | PTPN1 (0.30) | — | |
| SCHEMBL23511361 | 0.94 | NOS2 (0.32) | — | |
| SCHEMBL23511330 | 0.93 | — | — | |
| SCHEMBL23511373 | 0.92 | PTPN1 (0.30) | — | |
| SCHEMBL23511371 | 0.91 | PTPN1 (0.30) | — | |
| SCHEMBL23511549 | 0.91 | PTPN1 (0.30) | — | |
| SCHEMBL23511671 | 0.90 | NOS2 (0.32) | — | |
| SCHEMBL23511581 | 0.90 | PTPN1 (0.31) | — | |
| SCHEMBL23511383 | 0.88 | NOS2 (0.33) | — |
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-2021118217-A2 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2021-06-17 | — | — | WO | disclosed |