⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7736019 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL726620 | 0.71 | — | — | |
| SCHEMBL13346083 | 0.69 | — | — | |
| SCHEMBL28888728 | 0.69 | — | — | |
| SCHEMBL14448259 | 0.69 | — | — | |
| SCHEMBL3227506 | 0.65 | — | — | |
| SCHEMBL1221251 | 0.65 | — | — | |
| Chloromethane SCHEMBL27986052 | 0.65 | — | — | |
| 1,1-Dichloroethene SCHEMBL8409913 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL26574 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992016674-A2 | A METHOD OF CLEANING USING HYDROCHLOROFLUOROCARBONS HAVING 3 TO 5 CARBON ATOMS | ALLIED-SIGNAL INC. (US) | 1992-10-01 | — | — | WO | disclosed |