⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19365179 | 0.99 | — | — | |
| SCHEMBL13862972 | 0.97 | — | — | |
| SCHEMBL12693359 | 0.96 | — | — | |
| SCHEMBL21238994 | 0.96 | — | — | |
| SCHEMBL19380795 | 0.93 | ALDH1A1 (0.33) | — | |
| SCHEMBL21004414 | 0.91 | APP (0.30) | — | |
| SCHEMBL21004349 | 0.91 | NPC1 (0.32) | — | |
| SCHEMBL13353650 | 0.89 | — | — | |
| SCHEMBL25526545 | 0.88 | — | — | |
| SCHEMBL13976986 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012046736-A1 | ORGANIC EL DEVICE, AND METHOD FOR PRODUCING SAME | 住友化学株式会社 (JP) | 2012-04-12 | — | — | WO | disclosed |