⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL218875 | 0.91 | GRM2 (0.31) | — | |
| SCHEMBL5064896 | 0.91 | GRM2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL471787 | 0.89 | — | — | |
| Formic Acid SCHEMBL8030842 | 0.86 | GRM2 (0.32) | — | |
| SCHEMBL5961836 | 0.84 | — | — | |
| SCHEMBL7122613 | 0.80 | — | — | |
| Lactic Acid SCHEMBL7559083 | 0.80 | TP53 (0.35) | — | |
| SCHEMBL8103672 | 0.79 | GRM8 (0.31) | — | |
| SCHEMBL7157746 | 0.79 | — | — | |
| SCHEMBL9094889 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0792252-A1 | MONOMERS AND COMPOSITION WHICH CAN BE CROSSLINKED AND CROSSLINKED POLYMERS | Ciba SC Holding AG (CH) | 1997-09-03 | — | — | EP | disclosed |
| WO-1996016008-A1 | MONOMERS AND COMPOSITION WHICH CAN BE CROSSLINKED AND CROSSLINKED POLYMERS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 1996-05-30 | — | — | WO | disclosed |