⚠ 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL4626935 | 0.82 | TSHR (0.56) | — | |
| Fumaric Acid SCHEMBL4626269 | 0.82 | TSHR (0.56) | — | |
| Maleic Acid SCHEMBL272884 | 0.82 | TSHR (0.56) | — | |
| Fumaric Acid SCHEMBL272885 | 0.82 | TSHR (0.56) | — | |
| Fumaric Acid SCHEMBL2342320 | 0.82 | TSHR (0.56) | — | |
| SCHEMBL277326 | 0.82 | TSHR (0.53) | — | |
| Maleic Acid SCHEMBL4603806 | 0.80 | TSHR (0.53) | — | |
| Fumaric Acid SCHEMBL5676045 | 0.80 | TSHR (0.53) | — | |
| Fumaric Acid SCHEMBL4603810 | 0.80 | TSHR (0.53) | — | |
| Vinyl Ether SCHEMBL9322572 | 0.77 | HCAR2 (0.46) | — |
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-6500871-B1 | Process for preparing colloids of particles coming from the hydrolysis of a salt of a metal cation | Chimie, Rhodia (FR) | 2002-12-31 | — | — | US | disclosed |