⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2475277 | 0.88 | TSHR (0.32) | — | |
| SCHEMBL20989620 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL24425724 | 0.76 | — | — | |
| SCHEMBL2316828 | 0.75 | — | — | |
| Ethylamine SCHEMBL10520715 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL231913 | 0.75 | — | — | |
| SCHEMBL18831873 | 0.75 | — | — | |
| SCHEMBL1980 | 0.73 | — | — | |
| Iodide SCHEMBL1201232 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1201246 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112262166-A | Polyurethane foam-forming compositions | 速的奥公司 | 2021-01-22 | — | — | CN | claimed |
| CN-112262166-A | Polyurethane foam-forming compositions | 速的奥公司 | 2021-01-22 | — | — | CN | disclosed |
| EP-0890570-A2 | Tertiary alkyl primary amines and process for preparing the same | ROHM AND HAAS COMPANY (US) | 1999-01-13 | — | — | EP | disclosed |