⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27647211 | 0.72 | — | — | |
| SCHEMBL24600472 | 0.72 | KISS1R (0.33) | — | |
| SCHEMBL8415751 | 0.65 | — | — | |
| SCHEMBL12809548 | 0.65 | TDP1 (0.34) | — | |
| SCHEMBL27627027 | 0.65 | — | — | |
| SCHEMBL15075779 | 0.63 | ANPEP (0.31) | — | |
| SCHEMBL22762530 | 0.62 | — | — | |
| Formic Acid SCHEMBL4727687 | 0.61 | DDB1 (0.31) | — | |
| SCHEMBL1246998 | 0.61 | — | — | |
| SCHEMBL23018054 | 0.61 | — | — |
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 |