⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9000190 | 0.84 | — | — | |
| SCHEMBL1496194 | 0.72 | — | — | |
| SCHEMBL4572700 | 0.70 | — | — | |
| SCHEMBL3330871 | 0.67 | TRPV1 (0.44) | — | |
| SCHEMBL16463212 | 0.67 | — | — | |
| SCHEMBL23532485 | 0.67 | P2RX7 (0.35) | — | |
| SCHEMBL18463679 | 0.66 | CYP19A1 (0.32) | — | |
| SCHEMBL14993103 | 0.65 | TRPV1 (0.33) | — | |
| SCHEMBL20848116 | 0.65 | P2RX7 (0.31) | — | |
| SCHEMBL16462954 | 0.65 | — | — |
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-3896073-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2021-10-20 | — | — | EP | disclosed |