⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21943 | 0.97 | — | — | |
| SCHEMBL1076974 | 0.97 | — | — | |
| SCHEMBL4558754 | 0.97 | — | — | |
| SCHEMBL4524387 | 0.90 | CD81 (0.33) | — | |
| Allyl Alcohol SCHEMBL6632427 | 0.87 | TSHR (0.43) | — | |
| SCHEMBL8782098 | 0.87 | CD81 (0.32) | — | |
| Phosphoric Acid SCHEMBL6910724 | 0.87 | BTN3A1 (0.34) | — | |
| Acrylamide SCHEMBL28112777 | 0.82 | ALDH1A1 (0.46) | — | |
| Oxalic Acid SCHEMBL7522649 | 0.78 | GRIK2 (0.39) | — | |
| Oxalic Acid SCHEMBL7522641 | 0.78 | GRIK2 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4365092-A | CONTINUOUS REACTION WITH AMMONIA | COOK PAINT AND VARNISH COMPANY (US) | 1982-12-21 | — | — | US | disclosed |