⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL29109078 | 0.85 | FFAR3 (0.58) | — | |
| Bicarbonate SCHEMBL9424809 | 0.85 | — | — | |
| Acetic Acid SCHEMBL8672120 | 0.85 | — | — | |
| Carbamic Acid SCHEMBL28645598 | 0.83 | BLM (0.56) | — | |
| Acetone SCHEMBL15142738 | 0.81 | — | — | |
| Acetone SCHEMBL28361942 | 0.76 | — | — | |
| Acetamide SCHEMBL27626974 | 0.76 | — | — | |
| Acetic Acid SCHEMBL28189549 | 0.76 | FFAR3 (0.70) | — | |
| Acetic Acid SCHEMBL28258839 | 0.76 | FFAR3 (0.70) | — | |
| Acetic Acid SCHEMBL2776984 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0830421-A1 | MODIFIED AMINO CROSSLINKING AGENTS | CYTEC TECHNOLOGY CORP. (US) | 1998-03-25 | — | — | EP | disclosed |
| US-5665852-A | USEFUL IN POWDER COATING COMPOSITIONS | CYTEC TECHNOLOGY CORP. (US) | 1997-09-09 | — | — | US | disclosed |
| WO-1996040825-A1 | MODIFIED AMINO CROSSLINKING AGENTS | CYTEC TECHNOLOGY CORP. (US) | 1996-12-19 | — | — | WO | disclosed |