⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1385711 | 0.97 | — | — | |
| SCHEMBL743930 | 0.95 | — | — | |
| SCHEMBL16415744 | 0.95 | — | — | |
| SCHEMBL11045176 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL11373086 | 0.95 | — | — | |
| SCHEMBL6695619 | 0.75 | CYP3A4 (0.38) | — | |
| SCHEMBL19180222 | 0.74 | ALDH1A1 (0.45) | — | |
| SCHEMBL3261811 | 0.74 | MAPT (0.41) | — | |
| SCHEMBL1076725 | 0.72 | — | — | |
| SCHEMBL23648278 | 0.70 | MAPT (0.42) | — |
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-5185089-A | Aliphatic hydrogen-containing compound to reduce formation of 1-chloro-2,2,2-trifluoroethane | ALLIED-SIGNAL INC. (US) | 1993-02-09 | — | — | US | disclosed |
| US-5108632-A | For compression refrigeration and air-conditioning; combining aliphatic non-hydrogen compound, reduces formation of 1-chloro -2,2,2-trifluoroethane | ALLIED-SIGNAL INC. (US) | 1992-04-28 | — | — | US | disclosed |
| WO-1991017231-A1 | LUBRICANTS USEFUL WITH 1,1-DICHLORO-2,2,2-TRIFLUOROETHANE | ALLIED-SIGNAL INC. (US) | 1991-11-14 | — | — | WO | disclosed |