⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20671524 | 0.79 | — | — | |
| SCHEMBL12660837 | 0.79 | — | — | |
| SCHEMBL10331744 | 0.79 | — | — | |
| SCHEMBL13838790 | 0.77 | — | — | |
| SCHEMBL18456641 | 0.74 | — | — | |
| SCHEMBL19074160 | 0.73 | — | — | |
| SCHEMBL24559488 | 0.71 | — | — | |
| SCHEMBL20809463 | 0.70 | FAAH (0.37) | — | |
| SCHEMBL19074175 | 0.70 | — | — | |
| SCHEMBL20752465 | 0.69 | — | — |
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-10238609-B2 | Cyanide antidote compositions and methods of use | SAM HOUSTON STATE UNIVERSITY (US) | 2019-03-26 | — | — | US | disclosed |
| US-20170071876-A1 | CYANIDE ANTIDOTE COMPOSITIONS AND METHODS OF USE | SAM HOUSTON STATE UNIVERSITY | 2017-03-16 | — | — | US | disclosed |