⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL285341 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL2312814 | 0.74 | — | — | |
| SCHEMBL1226913 | 0.73 | — | — | |
| SCHEMBL646646 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL427237 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL153116 | 0.71 | — | — | |
| SCHEMBL976733 | 0.71 | — | — | |
| SCHEMBL431902 | 0.71 | — | — | |
| SCHEMBL976694 | 0.71 | — | — | |
| SCHEMBL432141 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040242782-A1 | Rubber composition and vulcanized rubber | SUMITOMO CHEMICAL COMPANY, LIMITED | 2004-12-02 | — | — | US | disclosed |
| US-4824922-A | CONTACT LENSES | FUSED KONTACTS OF CHICAGO (US) | 1989-04-25 | — | — | US | disclosed |
| US-4709066-A | CONTACT LENSES | FUSED KONTACTS OF CHICAGO (US) | 1987-11-24 | — | — | US | disclosed |
| EP-0023923-A4 | COMPOUNDS AND CATALYSTS CONTAINING PHOSPHORUS, ARSENIC OR NITROGEN AND THEIR USE IN HYDROCARBON CONVERSION PROCESSES. | EXXON RESEARCH ENGINEERING CO (US) | 1981-11-25 | — | — | EP | disclosed |
| EP-0023923-A1 | COMPOUNDS AND CATALYSTS CONTAINING PHOSPHORUS, ARSENIC OR NITROGEN AND THEIR USE IN HYDROCARBON CONVERSION PROCESSES. | EXXON RESEARCH ENGINEERING CO (US) | 1981-02-18 | — | — | EP | disclosed |
| WO-1980001689-A1 | PHOSPHINE AND PHOSPHONIUM COMPOUND AND CATALYST AND THEIR USE IN HYDROCARBON CONVERSION PROCESSES | EXXON RESEARCH ENGINEERING CO (US) | 1980-08-21 | — | — | WO | disclosed |