⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18965405 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL18965470 | 0.80 | NOS2 (0.32) | — | |
| SCHEMBL18965484 | 0.80 | NOS2 (0.32) | — | |
| SCHEMBL18965420 | 0.80 | MEN1 (0.32) | — | |
| SCHEMBL18965409 | 0.78 | — | — | |
| SCHEMBL18790929 | 0.77 | — | — | |
| SCHEMBL24752492 | 0.76 | GSK3B (0.35) | — | |
| SCHEMBL23479036 | 0.75 | NOS2 (0.31) | — | |
| SCHEMBL15860822 | 0.75 | NOS2 (0.41) | — | |
| SCHEMBL24787775 | 0.75 | MECP2 (0.35) | — |
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-2017099430-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2017-06-15 | — | — | WO | disclosed |