⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL681449 | 0.76 | — | — | |
| SCHEMBL12226001 | 0.73 | — | — | |
| SCHEMBL24525843 | 0.73 | CYP2D6 (0.30) | — | |
| SCHEMBL7539944 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL15972107 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL23254193 | 0.71 | — | — | |
| SCHEMBL1040252 | 0.71 | — | — | |
| SCHEMBL10486974 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL19833142 | 0.69 | — | — | |
| SCHEMBL21211572 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0642364-A1 | METHOD AND APPARATUS FOR EXTRACORPOREAL SEPARATION OF FLUOROCHEMICALS FROM WHOLE BLOOD OF A PATIENT. | HEMAGEN PFC (US) | 1995-03-15 | — | — | EP | claimed |
| WO-2010009845-A1 | SULFONE SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNE-MODULATORS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-01-28 | — | — | WO | disclosed |
| EP-0642364-A1 | METHOD AND APPARATUS FOR EXTRACORPOREAL SEPARATION OF FLUOROCHEMICALS FROM WHOLE BLOOD OF A PATIENT. | HEMAGEN PFC (US) | 1995-03-15 | — | — | EP | disclosed |
| US-4443480-A | PERFLUOROCYCLOCARBON, AMINE OXIDE | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1984-04-17 | — | — | US | disclosed |