⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19162486 | 0.96 | — | — | |
| SCHEMBL19163090 | 0.96 | — | — | |
| SCHEMBL19162240 | 0.92 | — | — | |
| SCHEMBL19163100 | 0.92 | — | — | |
| SCHEMBL19162399 | 0.92 | KDM4E (0.31) | — | |
| SCHEMBL19163177 | 0.90 | KDM4E (0.32) | — | |
| SCHEMBL19162489 | 0.90 | — | — | |
| SCHEMBL19163091 | 0.90 | TUBB4A (0.32) | — | |
| SCHEMBL19162237 | 0.90 | KDM4E (0.30) | — | |
| SCHEMBL19170397 | 0.90 | NPY5R (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170213984-A1 | NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | LG CHEM, LTD. (KR) | 2017-07-27 | — | — | US | disclosed |