⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22819 | 0.95 | — | — | |
| SCHEMBL1104695 | 0.95 | — | — | |
| SCHEMBL10180 | 0.95 | — | — | |
| SCHEMBL27289627 | 0.91 | — | — | |
| SCHEMBL28060640 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL21253261 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL9303959 | 0.81 | TSHR (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL142595 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL490795 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL357746 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008135676-A1 | IMPROVED METHOD FOR PRODUCING ACROLEIN AND/OR ACRYLIC ACID FROM PROPYLENE | ARKEMA FRANCE (FR) | 2008-11-13 | — | — | WO | claimed |
| US-8937091-B2 | Inhibitor of protein crosslinking and use of the same | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2015-01-20 | — | — | US | disclosed |
| US-20120277423-A1 | PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME | JAPAN SCIENCE AND TECHNOLOGY AGENCY | 2012-11-01 | — | — | US | disclosed |
| WO-2008135676-A1 | IMPROVED METHOD FOR PRODUCING ACROLEIN AND/OR ACRYLIC ACID FROM PROPYLENE | ARKEMA FRANCE (FR) | 2008-11-13 | — | — | WO | disclosed |
| EP-0324280-B1 | SPANDEX FORMED WITH A MIXTURE OF DIAMINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| EP-0324280-A1 | Spandex formed with a mixture of diamines | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-07-19 | — | — | EP | disclosed |
| US-4798880-A | CHAIN EXTENSION WITH HYDROGENATED PHENYLENEDIAMINES AND TETRACHLORO-P-XYLYLENEDIAMINE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-01-17 | — | — | US | disclosed |