⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9600460 | 0.87 | — | — | |
| SCHEMBL74197 | 0.80 | — | — | |
| SCHEMBL29131749 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL9634682 | 0.78 | — | — | |
| Chloromethane SCHEMBL28208238 | 0.75 | — | — | |
| SCHEMBL15624 | 0.74 | — | — | |
| SCHEMBL10522424 | 0.74 | — | — | |
| SCHEMBL9361381 | 0.72 | — | — | |
| SCHEMBL9418862 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL7625914 | 0.70 | 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 |
|---|---|---|---|---|---|---|---|
| US-5246618-A | Vapor degreasing for removal of solder fluxes | KALI-CHEMIE AG (DE) | 1993-09-21 | — | — | US | disclosed |
| US-5114609-A | Chlorofluorohydrocarbon, alkanol, and ethyl or methyl propionate or ethyl acetate; printed circuits | KALI-CHEMIE AG (DE) | 1992-05-19 | — | — | US | disclosed |