⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3945787 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL9515825 | 0.73 | TSHR (0.53) | — | |
| SCHEMBL42203 | 0.71 | TSHR (0.50) | — | |
| SCHEMBL27476949 | 0.71 | — | — | |
| SCHEMBL27427018 | 0.71 | TSHR (0.50) | — | |
| SCHEMBL13849512 | 0.71 | TSHR (0.50) | — | |
| SCHEMBL7092944 | 0.71 | TSHR (0.50) | — | |
| SCHEMBL1442538 | 0.71 | TSHR (0.50) | — | |
| Acetic Acid SCHEMBL11076307 | 0.71 | TSHR (0.58) | — | |
| SCHEMBL255602 | 0.71 | TSHR (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170157116-A1 | METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE | CURIA BUFFALO R&D, LLC | 2017-06-08 | — | — | US | disclosed |
| US-20170151232-A1 | METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE | CURIA BUFFALO R&D, LLC | 2017-06-01 | — | — | US | disclosed |