⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2407437 | 0.80 | — | — | |
| SCHEMBL4791763 | 0.75 | — | — | |
| SCHEMBL22189211 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL10455715 | 0.73 | — | — | |
| SCHEMBL7791433 | 0.73 | — | — | |
| SCHEMBL9396943 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9396950 | 0.73 | — | — | |
| SCHEMBL15412777 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL12626668 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL6063951 | 0.69 | LMNA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0614873-B1 | Hexafluoropropylene oxide compounds and a method of making same | SHINETSU CHEMICAL CO (JP) | 1998-06-10 | — | — | EP | disclosed |
| US-5414119-A | Hexafluoropropylene oxide compounds and a method of making same | SHIN ETSU CHEMICAL CO., LTD. (JP) | 1995-05-09 | — | — | US | disclosed |
| EP-0614873-A1 | Hexafluoropropylene oxide compounds and a method of making same | Shin-Etsu Chemical Co., Ltd. (JP) | 1994-09-14 | — | — | EP | disclosed |