⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37216 | 0.90 | — | — | |
| Water SCHEMBL28099731 | 0.87 | — | — | |
| Bromide SCHEMBL28198770 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL6018258 | 0.87 | — | — | |
| Dimethylamine SCHEMBL29051965 | 0.84 | — | — | |
| Acrylic Acid SCHEMBL16447153 | 0.73 | LMNA (0.43) | — | |
| SCHEMBL8991847 | 0.71 | — | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL8341946 | 0.71 | CA1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL28438317 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28438316 | 0.70 | — | — |
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-5618839-A | Retinoid-like compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-04-08 | — | — | US | disclosed |