⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29244250 | 0.81 | TP53 (0.30) | — | |
| SCHEMBL381189 | 0.76 | — | — | |
| SCHEMBL345700 | 0.76 | — | — | |
| SCHEMBL1647946 | 0.76 | — | — | |
| SCHEMBL16435 | 0.76 | — | — | |
| SCHEMBL25943 | 0.76 | — | — | |
| Ethyl Chloride SCHEMBL7925746 | 0.74 | — | — | |
| Water SCHEMBL6706113 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL8192404 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11437100 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991009156-A1 | AZEOTROPE-LIKE COMPOSITIONS OF 1,1,2-TRICHLORO-1,2,2-TRIFLUOROETHANE, 1,2-DICHLOROETHYLENE, AND ALKANOL HAVING 3 TO 7 CARBON ATOMS | ALLIED-SIGNAL INC. (US) | 1991-06-27 | — | — | WO | disclosed |
| US-4961870-A | CLEANING, DEGREASING, SOLVENTS | ALLIED-SIGNAL INC. (US) | 1990-10-09 | — | — | US | disclosed |