⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12745348 | 0.69 | — | — | |
| SCHEMBL27332807 | 0.69 | — | — | |
| SCHEMBL12784641 | 0.68 | PTGS2 (0.32) | — | |
| SCHEMBL2153631 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL23790875 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL12784637 | 0.67 | — | — | |
| SCHEMBL12745355 | 0.67 | — | — | |
| SCHEMBL560086 | 0.65 | PTK2 (0.41) | — | |
| SCHEMBL12745354 | 0.64 | — | — | |
| SCHEMBL24521865 | 0.63 | — | — |
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-3851443-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2021-07-21 | — | — | EP | disclosed |