⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18058240 | 0.91 | HASPIN (0.40) | — | |
| SCHEMBL18059353 | 0.91 | HASPIN (0.40) | — | |
| SCHEMBL16940910 | 0.91 | — | — | |
| SCHEMBL18505563 | 0.89 | PDK2 (0.33) | — | |
| SCHEMBL18057946 | 0.89 | ABCB1 (0.32) | — | |
| SCHEMBL18057948 | 0.89 | ABCB1 (0.32) | — | |
| SCHEMBL15434215 | 0.89 | L3MBTL1 (0.35) | — | |
| SCHEMBL18505567 | 0.88 | PDK2 (0.32) | — | |
| SCHEMBL2603527 | 0.88 | DUSP3 (0.36) | — | |
| SCHEMBL18057960 | 0.88 | ABCB1 (0.31) | — |
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-20160260909-A1 | Organic Electroluminescent Materials and Devices | UNIVERSAL DISPLAY CORPORATION | 2016-09-08 | — | — | US | disclosed |