⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19239298 | 0.96 | TSHR (0.31) | — | |
| SCHEMBL24218109 | 0.93 | KDM4E (0.30) | — | |
| SCHEMBL24218110 | 0.93 | — | — | |
| SCHEMBL24217937 | 0.93 | KDM4E (0.30) | — | |
| SCHEMBL27325263 | 0.92 | PRKDC (0.33) | — | |
| SCHEMBL25133758 | 0.91 | — | — | |
| SCHEMBL19129972 | 0.90 | — | — | |
| SCHEMBL25117278 | 0.90 | — | — | |
| SCHEMBL19239374 | 0.90 | KDM4E (0.33) | — | |
| SCHEMBL19239247 | 0.89 | CYP1A2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021085969-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2021-05-06 | — | — | WO | disclosed |
| US-9876181-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2018-01-23 | — | — | US | disclosed |
| US-9876181-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2018-01-23 | — | — | US | disclosed |
| US-20170237017-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-08-17 | — | — | US | disclosed |
| US-20170237017-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-08-17 | — | — | US | disclosed |