⚠ 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 | |
|---|---|---|---|---|
| 1,1-Dichloroethene SCHEMBL5313396 | 0.80 | ALDH1A1 (0.35) | — | |
| 1,1-Dichloroethene SCHEMBL20771035 | 0.80 | — | — | |
| SCHEMBL7158083 | 0.78 | — | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL9340540 | 0.76 | TDP1 (0.50) | — | |
| Tetrachloroethylene SCHEMBL11198193 | 0.76 | TSHR (0.60) | — | |
| SCHEMBL43027 | 0.75 | — | — | |
| SCHEMBL27857076 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL876988 | 0.75 | TSHR (0.75) | — | |
| Methyl Alcohol SCHEMBL2201801 | 0.75 | — | — | |
| 1,1-Dichloroethene SCHEMBL7785805 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4301314-A | IN THE PRESENCE OF OXYGEN; BY-PRODUCTS INHIBITION | PPG INDUSTRIES, INC. (US) | 1981-11-17 | — | — | US | disclosed |
| US-4192823-A | Vapor phase chlorination of 1,1-dichloroethane | PPG INDUSTRIES, INC. (US) | 1980-03-11 | — | — | US | disclosed |
| US-4153768-A | Organic hydroxy silicates utilized as curing agents for polyurethane prepolymers | BLOUNT DAVID H | 1979-05-08 | — | — | US | disclosed |
| US-4133943-A | DIAMINOAROMATIC CARBOXYLIC OR SULFONIC ACIDS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-01-09 | — | — | US | disclosed |