⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24521288 | 0.87 | — | — | |
| SCHEMBL24521284 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL24521232 | 0.68 | TDP2 (0.40) | — | |
| SCHEMBL24521179 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL24521273 | 0.67 | MEN1 (0.40) | — | |
| SCHEMBL17467363 | 0.66 | MEN1 (0.36) | — | |
| SCHEMBL24521276 | 0.65 | — | — | |
| SCHEMBL18519009 | 0.64 | DPP4 (0.33) | — | |
| SCHEMBL17467371 | 0.64 | ADORA2A (0.38) | — | |
| SCHEMBL17467369 | 0.64 | ADORA2A (0.38) | — |
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-4015515-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LT Materials Co., Ltd. (KR) | 2022-06-22 | — | — | EP | disclosed |