⚠ 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 | |
|---|---|---|---|---|
| Allylamine SCHEMBL11875810 | 1.00 | ALDH1A1 (0.60) | — | |
| Allylamine SCHEMBL8027697 | 0.86 | — | — | |
| Allylamine SCHEMBL8725000 | 0.78 | — | — | |
| Allylamine SCHEMBL15197 | 0.78 | — | — | |
| Allylamine SCHEMBL6032547 | 0.78 | — | — | |
| Sulfurous Acid SCHEMBL25287274 | 0.76 | — | — | |
| Allylamine SCHEMBL1101440 | 0.76 | — | — | |
| Allylamine SCHEMBL438669 | 0.76 | ALDH1A1 (0.64) | — | |
| Sulfurous Acid SCHEMBL2594686 | 0.76 | — | — | |
| Allylamine SCHEMBL25277708 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6303723-B1 | POLYMERS OF ALLYLIC AMINE COMPOUNDS; AZOBIS(N-HYDROXYALKYLAMIDE) FREE RADICAL CATALYST, E.G., 2,2'-AZOBIS(2-METHYL-N-(2-HYDROXYETHYL)PROPIONAMIDE | PENN STATE RESEARCH FOUNDATION | 2001-10-16 | — | — | US | claimed |
| WO-2000024791-A1 | PROCESS FOR POLYMERIZATION OF ALLYLIC COMPOUNDS | PENN STATE RESEARCH FOUNDATION (US) | 2000-05-04 | — | — | WO | claimed |
| US-4404202-A | AMINE SULFITE AND BISULFITE SALTS | T & R CHEMICALS, INC. (US) | 1983-09-13 | — | — | US | disclosed |
| US-4400396-A | Antithrombotic treatment with organic amine sulfites and bisulfites | T & R CHEMICALS, INC. (US) | 1983-08-23 | — | — | US | disclosed |
| WO-1982000097-A1 | THE USE OF CERTAIN SULFITES OR BISULFITES IN COMPOSITIONS FOR TREATING THROMBOTIC CONDITIONS | T & R CHEM INC (US) | 1982-01-21 | — | — | WO | disclosed |
| EP-0043274-A2 | Antithrombotic treatment | T AND R CHEMICALS, INC. (US) | 1982-01-06 | — | — | EP | disclosed |
| US-3974066-A | Removal of oxygen from petroleum charge stocks | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1976-08-10 | — | — | US | disclosed |