⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12382854 | 0.88 | ALKBH5 (0.33) | — | |
| SCHEMBL22808271 | 0.84 | ALKBH5 (0.49) | — | |
| SCHEMBL22808272 | 0.84 | ALKBH5 (0.41) | — | |
| SCHEMBL21168173 | 0.76 | ALKBH5 (0.55) | — | |
| SCHEMBL13100684 | 0.70 | ALKBH5 (0.62) | — | |
| SCHEMBL22502901 | 0.65 | CYP11B1 (0.30) | — | |
| SCHEMBL22502900 | 0.65 | KDM4E (0.34) | — | |
| SCHEMBL11985903 | 0.65 | — | — | |
| SCHEMBL20180203 | 0.65 | — | — | |
| SCHEMBL24122038 | 0.64 | ADORA2A (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10937974-B2 | Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound | SAMSUNG ELECTRONICS CO; LTD. (KR) | 2021-03-02 | — | — | US | disclosed |
| US-10873039-B2 | Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2020-12-22 | — | — | US | disclosed |