⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18385671 | 1.00 | — | — | |
| SCHEMBL18385665 | 0.94 | — | — | |
| SCHEMBL18385173 | 0.94 | PTGER4 (0.32) | — | |
| SCHEMBL18385197 | 0.94 | PTGER4 (0.32) | — | |
| SCHEMBL18385171 | 0.93 | TSPO (0.33) | — | |
| SCHEMBL18385172 | 0.93 | TSPO (0.33) | — | |
| SCHEMBL18385201 | 0.93 | TSPO (0.33) | — | |
| SCHEMBL18385195 | 0.93 | TSPO (0.33) | — | |
| SCHEMBL18385489 | 0.92 | PTGER4 (0.33) | — | |
| SCHEMBL18385718 | 0.92 | PTGER4 (0.32) | — |
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-20170018719-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2017-01-19 | — | — | US | disclosed |
| US-20170018719-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2017-01-19 | — | — | US | disclosed |