⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1647946 | 0.88 | — | — | |
| SCHEMBL345700 | 0.88 | — | — | |
| Acetone SCHEMBL11808039 | 0.87 | LMNA (0.35) | — | |
| Methyl Alcohol SCHEMBL1871619 | 0.84 | — | — | |
| Methylene Chloride SCHEMBL11263400 | 0.80 | TSHR (0.44) | — | |
| Methylene Chloride SCHEMBL27342821 | 0.77 | — | — | |
| SCHEMBL29244250 | 0.77 | TP53 (0.30) | — | |
| Methyl Alcohol SCHEMBL11654564 | 0.72 | — | — | |
| SCHEMBL27567113 | 0.72 | ALDH1A1 (0.30) | — | |
| Dichlorotetrafluoroethane SCHEMBL27308622 | 0.72 | ALDH1A1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0414804-A1 | AZEOTROPE-LIKE COMPOSITIONS OF 1,1-DICHLORO-1-FLUOROETHANE, METHANOL AND NITROMETHANE. | ALLIED SIGNAL INC (US) | 1991-03-06 | — | — | EP | disclosed |
| WO-1989010984-A1 | AZEOTROPE-LIKE COMPOSITIONS OF 1,1-DICHLORO-1-FLUOROETHANE AND METHANOL | ALLIED-SIGNAL INC. (US) | 1989-11-16 | — | — | WO | disclosed |