⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20845081 | 0.98 | MEN1 (0.31) | — | |
| SCHEMBL20845101 | 0.98 | MEN1 (0.31) | — | |
| SCHEMBL20845097 | 0.94 | KMT2A (0.33) | — | |
| SCHEMBL20845338 | 0.92 | KMT2A (0.32) | — | |
| SCHEMBL20222639 | 0.90 | KMT2A (0.31) | — | |
| SCHEMBL20845055 | 0.90 | AHR (0.32) | — | |
| SCHEMBL20845100 | 0.90 | CYP2C9 (0.36) | — | |
| SCHEMBL20845076 | 0.89 | CYP1A2 (0.34) | — | |
| SCHEMBL20845181 | 0.89 | AHR (0.31) | — | |
| SCHEMBL20845183 | 0.88 | DHODH (0.36) | — |
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-20190092745-A1 | COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME | NICHEM FINE TECHNOLOGY CO., LTD. (TW) | 2019-03-28 | — | — | US | disclosed |