⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16716727 | 0.93 | PRKDC (0.30) | — | |
| SCHEMBL16727574 | 0.89 | PGR (0.32) | — | |
| SCHEMBL20349238 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL16716690 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL21074288 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL16716691 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL16726501 | 0.80 | MEN1 (0.32) | — | |
| SCHEMBL16726453 | 0.78 | CYP1A2 (0.32) | — | |
| SCHEMBL16727556 | 0.78 | — | — | |
| SCHEMBL16727563 | 0.77 | PRKDC (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-20150137095-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2015-05-21 | — | — | US | disclosed |