⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5050147 | 1.00 | TRPA1 (0.58) | — | |
| SCHEMBL9926021 | 1.00 | TRPA1 (0.58) | — | |
| SCHEMBL29633894 | 1.00 | — | — | |
| SCHEMBL30691872 | 1.00 | TRPA1 (0.58) | — | |
| SCHEMBL9926022 | 0.88 | TRPA1 (0.58) | — | |
| SCHEMBL2515375 | 0.84 | TRPA1 (0.50) | — | |
| SCHEMBL4795502 | 0.84 | TRPA1 (0.50) | — | |
| SCHEMBL4795499 | 0.84 | TRPA1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL8007872 | 0.82 | TRPA1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL8007871 | 0.82 | TRPA1 (0.48) | — |
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-20130165427-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES | HYDRA BIOSCIENCES, INC. (US) | 2013-06-27 | — | — | US | disclosed |