⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1962973 | 1.00 | — | — | |
| SCHEMBL18013403 | 0.80 | — | — | |
| SCHEMBL74195 | 0.78 | — | — | |
| SCHEMBL12631323 | 0.78 | — | — | |
| SCHEMBL11989332 | 0.78 | — | — | |
| SCHEMBL27916387 | 0.78 | — | — | |
| SCHEMBL11782414 | 0.76 | — | — | |
| SCHEMBL19301342 | 0.74 | — | — | |
| SCHEMBL14967059 | 0.74 | KMT2A (0.31) | — | |
| Ethylene SCHEMBL10950651 | 0.74 | — | — |
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-20120315551-A1 | Materials for Battery Electrolytes and Methods for Use | WILDCAT DISCOVERY TECHNOLOGIES, INC. (US) | 2012-12-13 | — | — | US | disclosed |