⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL787463 | 0.67 | — | — | |
| SCHEMBL2323264 | 0.67 | — | — | |
| SCHEMBL14654595 | 0.67 | KDM1A (0.33) | — | |
| SCHEMBL22251901 | 0.65 | — | — | |
| SCHEMBL13887309 | 0.65 | — | — | |
| SCHEMBL15930175 | 0.64 | ESR2 (0.35) | — | |
| SCHEMBL13782946 | 0.63 | — | — | |
| SCHEMBL1463658 | 0.63 | MAPT (0.31) | — | |
| SCHEMBL21554246 | 0.63 | KDM1A (0.45) | — | |
| SCHEMBL7644454 | 0.63 | MAPT (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 |
|---|---|---|---|---|---|---|---|
| EP-3862360-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2021-08-11 | — | — | EP | disclosed |