⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1208261 | 0.71 | GSK3A (0.31) | — | |
| SCHEMBL179067 | 0.68 | — | — | |
| Pyridine SCHEMBL28746763 | 0.67 | F7 (0.36) | — | |
| Hydrochloric Acid SCHEMBL30227166 | 0.66 | ALDH1A1 (0.47) | — | |
| SCHEMBL31053064 | 0.66 | — | — | |
| SCHEMBL8056183 | 0.65 | — | — | |
| SCHEMBL28327160 | 0.62 | TDP1 (0.42) | — | |
| Urea SCHEMBL28483960 | 0.61 | — | — | |
| SCHEMBL676346 | 0.60 | NR4A1 (0.35) | — | |
| SCHEMBL20100051 | 0.60 | — | — |
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-5653839-A | FILLING SPACE BETWEEN TWO PLATES OF SILANE-TREATED VITREOUS MATERIAL WITH ACRYLAMIDE DERIVATIVE AND ADDITIVES, POLYMERIZING | MITSUI TOATSU CHEMICAL INCORPORATED (JP) | 1997-08-05 | — | — | US | disclosed |