⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL177426 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL958972 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3484568 | 0.94 | GSR (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL7172121 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3855667 | 0.94 | GSR (0.37) | — | |
| Oxalic Acid SCHEMBL5863163 | 0.90 | ALDH1A1 (0.35) | — | |
| SCHEMBL7131637 | 0.85 | GSR (0.42) | — | |
| SCHEMBL177924 | 0.83 | — | — | |
| Methacrylic Acid SCHEMBL27670122 | 0.82 | TDP1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL5369290 | 0.82 | HTR5A (0.34) | — |
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-5173209-A | Concentrated solvent reagent; high solubility; chemical intermediates for steroids and fragrance | CYPRUS FOOTE MINERAL COMPANY (US) | 1992-12-22 | — | — | US | disclosed |
| US-5068368-A | Reaction of lithium amide with acetylene and reaction with a ketone | CYPRUS FOOTE MINERAL COMPANY (US) | 1991-11-26 | — | — | US | disclosed |