⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL11300624 | 0.97 | — | — | |
| SCHEMBL20039487 | 0.94 | — | — | |
| SCHEMBL8424627 | 0.92 | SHBG (0.33) | — | |
| SCHEMBL8424621 | 0.92 | SHBG (0.33) | — | |
| SCHEMBL10597912 | 0.92 | SHBG (0.33) | — | |
| SCHEMBL10597902 | 0.92 | SHBG (0.33) | — | |
| SCHEMBL19310592 | 0.88 | — | — | |
| SCHEMBL13746876 | 0.88 | — | — | |
| Methyl Alcohol SCHEMBL28021788 | 0.87 | SHBG (0.31) | — | |
| Acetic Acid SCHEMBL29099862 | 0.87 | AKR1C4 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080245992-A1 | Mixture of Refrigerant Gases Based on Hydrocarbons in Order to Obtain Greater Efficiency in Air Conditioning and Refrigeration Compression Systems | OCHOA VIVANCO RUBEN DARIO | 2008-10-09 | — | — | US | disclosed |
| EP-1826258-A1 | IMPROVEMENT TO MIXTURE OF REFRIGERANT GASES BASED ON HYDROCARBONS IN ORDER TO OBTAIN GREATER EFFICIENCY IN AIR CONDITIONING AND REFRIGERATION COMPRESSION SYSTEMS | Ochoa Vivanco, Ruben Dario (MX) | 2007-08-29 | — | — | EP | disclosed |
| US-4405757-A | Macromolecular complexes of amidocarbonylic water-soluble polymers and square planar platinous and equivalent organometallics | HOWELL BOBBY A | 1983-09-20 | — | — | US | disclosed |