⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9777940 | 0.80 | — | — | |
| SCHEMBL10357283 | 0.69 | — | — | |
| SCHEMBL28681499 | 0.58 | — | — | |
| SCHEMBL5516996 | 0.56 | — | — | |
| SCHEMBL2172287 | 0.51 | — | — | |
| SCHEMBL9299024 | 0.49 | — | — | |
| SCHEMBL29060856 | 0.48 | — | — | |
| SCHEMBL31213832 | 0.48 | — | — | |
| SCHEMBL2886957 | 0.46 | — | — | |
| SCHEMBL4100454 | 0.46 | — | — |
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-5000866-A | Antifreeze compositions containing alkane tetracarboxylic acid for use with hard water | FIRST BRANDS CORPORATION (US) | 1991-03-19 | — | — | US | disclosed |
| US-4725405-A | Organosiloxane-silicate copolymer antifreeze composition with nitrate corrosion inhibitor | FIRST BRANDS CORPORATION (US) | 1988-02-16 | — | — | US | disclosed |
| US-4664833-A | AUTOMOBILE COOLANTS | UNION CARBIDE CORPORATION (US) | 1987-05-12 | — | — | US | disclosed |