⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31332849 | 0.74 | CYP11B1 (0.44) | — | |
| SCHEMBL30461849 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL11568316 | 0.71 | — | — | |
| SCHEMBL5657481 | 0.71 | — | — | |
| SCHEMBL3275833 | 0.71 | CYP11B1 (0.43) | — | |
| SCHEMBL31332952 | 0.70 | CYP11B1 (0.55) | — | |
| Bromide SCHEMBL6369678 | 0.68 | CYP19A1 (0.41) | — | |
| SCHEMBL21158056 | 0.68 | CYP19A1 (0.41) | — | |
| SCHEMBL329374 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL21324046 | 0.67 | HTR2A (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11970641-B2 | Ionic compositions and related uses thereof | NITTO DENKO CORPORATION (JP) | 2024-04-30 | — | — | US | disclosed |
| US-11970641-B2 | Ionic compositions and related uses thereof | NITTO DENKO CORPORATION (JP) | 2024-04-30 | — | — | US | disclosed |
| US-20200071581-A1 | IONIC COMPOSITIONS AND RELATED USES THEREOF | NITTO DENKO CORPORATION (JP) | 2020-03-05 | — | — | US | disclosed |