⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28267 | 0.81 | CYP2C9 (0.33) | — | |
| SCHEMBL423119 | 0.77 | CES2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL27592323 | 0.76 | CES2 (0.33) | — | |
| SCHEMBL4389833 | 0.76 | — | — | |
| SCHEMBL18660283 | 0.76 | — | — | |
| SCHEMBL16278670 | 0.74 | ALDH1A1 (0.43) | — | |
| Chloromethane SCHEMBL5007039 | 0.74 | TSHR (0.34) | — | |
| SCHEMBL7597468 | 0.74 | — | — | |
| SCHEMBL11050759 | 0.74 | — | — | |
| SCHEMBL7597464 | 0.74 | — | — |
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-4195003-A | Phosphorus acid to stabilize quaternized polyacrylamide | NALCO CHEMICAL COMPANY (US) | 1980-03-25 | — | — | US | disclosed |
| US-4120840-A | WATER IN OIL EMULSIONS | NALCO CHEMICAL COMPANY (US) | 1978-10-17 | — | — | US | disclosed |