⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48111 | 0.93 | — | — | |
| SCHEMBL6747104 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3550501 | 0.86 | ALDH1A1 (0.62) | — | |
| Water SCHEMBL28161990 | 0.86 | — | — | |
| SCHEMBL28059945 | 0.86 | — | — | |
| SCHEMBL30974715 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3550507 | 0.86 | — | — | |
| Isopropyl Alcohol SCHEMBL3134615 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL1863656 | 0.86 | — | — | |
| SCHEMBL27577930 | 0.86 | — | — |
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-20110250509-A1 | SECONDARY BATTERY AND ELECTRONIC DEVICE | SONY CORPORATION (JP) | 2011-10-13 | — | — | US | disclosed |