⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3304975 | 0.79 | OPRM1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL26676463 | 0.77 | — | — | |
| SCHEMBL3299856 | 0.75 | OPRM1 (0.39) | — | |
| SCHEMBL3303115 | 0.73 | OPRM1 (0.48) | — | |
| SCHEMBL5706631 | 0.73 | — | — | |
| SCHEMBL14479421 | 0.71 | OPRM1 (0.46) | — | |
| SCHEMBL4275939 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL3100274 | 0.70 | OPRM1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL28344259 | 0.70 | OPRM1 (0.44) | — | |
| SCHEMBL14050397 | 0.69 | TSHR (0.37) | — |
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-9981240-B1 | Devices for charge-titrating particle assembly, and methods of using the devices | HRL LABORATORIES, LLC (US) | 2018-05-29 | — | — | US | disclosed |