⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11676287 | 0.93 | — | — | |
| SCHEMBL3381762 | 0.87 | — | — | |
| SCHEMBL10379838 | 0.84 | — | — | |
| SCHEMBL15477183 | 0.82 | — | — | |
| SCHEMBL31405823 | 0.82 | — | — | |
| SCHEMBL15477182 | 0.82 | — | — | |
| SCHEMBL2711986 | 0.80 | CYP3A4 (0.41) | — | |
| SCHEMBL12769833 | 0.80 | ALDH1A1 (0.54) | — | |
| SCHEMBL18107253 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL22007755 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003104364-A1 | FLUOROCARBON, OXYGENATED AND NON-OXYGENATED LUBRICANT, AND COMPATIBILIZER COMPOSITION, AND METHOD FOR REPLACING REFRIGERATION COMPOSITION IN A REFRIGERATION SYSTEM | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2003-12-18 | — | — | WO | disclosed |
| US-6086905-A | Topical compositions useful as skin penetration barriers | DISCOVERY THERAPEUTICS, INC. | 2000-07-11 | — | — | US | disclosed |
| US-4173541-A | ANITOXIDANTS | CINCINNATI MILACRON CHEMICALS INC. (US) | 1979-11-06 | — | — | US | disclosed |