⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2522757 | 0.84 | — | — | |
| SCHEMBL658787 | 0.84 | — | — | |
| SCHEMBL1886828 | 0.79 | — | — | |
| SCHEMBL29127743 | 0.73 | HSD17B10 (0.30) | — | |
| SCHEMBL25412984 | 0.72 | HSD17B10 (0.32) | — | |
| SCHEMBL2517597 | 0.71 | ADRB2 (0.35) | — | |
| SCHEMBL5266 | 0.70 | — | — | |
| SCHEMBL10057451 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL11995881 | 0.70 | CES2 (0.38) | — | |
| SCHEMBL3155618 | 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-1706469-A2 | FLUOROETHER REFRIGERANT COMPOSITIONS AND USES THEREOF | E.I.Du pont de nemours and company (US) | 2006-10-04 | — | — | EP | disclosed |
| EP-1704198-A2 | 1,1,1,3,3,-PENTAFLUOROYBUTANE REFRIGERANT COMPOSITIONS COMPRISING FLUOROETHER AND USES THEREOF | E.I.Du pont de nemours and company (US) | 2006-09-27 | — | — | EP | disclosed |
| WO-2005067556-A2 | 1,1,1,3,3,-PENTAFLUOROYBUTANE REFRIGERANT COMPOSITIONS COMPRISING FLUOROETHER AND USES THEREOF | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2005-07-28 | — | — | WO | disclosed |
| WO-2005067559-A2 | FLUOROETHER REFRIGERANT COMPOSITIONS AND USES THEREOF | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2005-07-28 | — | — | WO | disclosed |