⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7173607 | 0.97 | — | — | |
| SCHEMBL320583 | 0.97 | — | — | |
| SCHEMBL184525 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1962118 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL14675158 | 0.94 | — | — | |
| Potassium SCHEMBL30207800 | 0.94 | — | — | |
| SCHEMBL129783 | 0.88 | — | — | |
| SCHEMBL12377989 | 0.88 | — | — | |
| SCHEMBL19538519 | 0.88 | — | — | |
| Tetrahydrofuran SCHEMBL9245170 | 0.86 | ALDH1A1 (0.42) | — |
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-2169372-B1 | MATERIAL FOR PRESSURE MEASUREMENT | FUJIFILM CORP (JP) | 2018-11-28 | — | — | EP | disclosed |
| US-20100184233-A1 | MATERIAL FOR PRESSURE MEASUREMENT | FUJIFILM CORPORATION (JP) | 2010-07-22 | — | — | US | disclosed |
| EP-2169372-A1 | MATERIAL FOR PRESSURE MEASUREMENT | Fujifilm Corporation (JP) | 2010-03-31 | — | — | EP | disclosed |