⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9106558 | 0.67 | — | — | |
| SCHEMBL15172211 | 0.65 | — | — | |
| SCHEMBL15172194 | 0.65 | — | — | |
| SCHEMBL6720335 | 0.65 | — | — | |
| SCHEMBL15172188 | 0.65 | — | — | |
| SCHEMBL6725259 | 0.64 | — | — | |
| SCHEMBL14632128 | 0.63 | — | — | |
| SCHEMBL186948 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL5369322 | 0.60 | — | — | |
| SCHEMBL6721923 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005091992-A2 | OLIGONUCLEOTIDE COMPOSITIONS TARGETING EGR-1 FORCANCER TREATMENT | MERCOLA DANIEL (US) | 2005-10-06 | — | — | WO | disclosed |