⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121599 | 0.92 | — | — | |
| Iodide SCHEMBL7404077 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL4973373 | 0.89 | — | — | |
| SCHEMBL28419610 | 0.84 | CXCR4 (0.40) | — | |
| SCHEMBL6356000 | 0.78 | — | — | |
| SCHEMBL6203044 | 0.78 | — | — | |
| SCHEMBL16316099 | 0.76 | — | — | |
| Benzoic Acid SCHEMBL6683083 | 0.72 | TSHR (0.48) | — | |
| SCHEMBL3663879 | 0.72 | — | — | |
| SCHEMBL29452567 | 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-20130052315-A1 | Methods and Compositions for Protecting Beverages From Heat and Light Stress | PEPSICO, INC. (US) | 2013-02-28 | — | — | US | disclosed |