⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1155170 | 0.86 | — | — | |
| SCHEMBL9561796 | 0.74 | — | — | |
| SCHEMBL17292666 | 0.71 | HDAC3 (0.32) | — | |
| SCHEMBL16679739 | 0.70 | ALDH1A1 (0.34) | — | |
| Methacrylic Acid SCHEMBL7208431 | 0.69 | HDAC3 (0.33) | — | |
| SCHEMBL5066933 | 0.68 | — | — | |
| Methacrylic Acid SCHEMBL600682 | 0.67 | GSTP1 (0.31) | — | |
| SCHEMBL128996 | 0.67 | KMT2A (0.30) | — | |
| Methacrylic Acid SCHEMBL1454554 | 0.67 | — | — | |
| SCHEMBL6826957 | 0.66 | HDAC3 (0.32) | — |
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-0330499-B1 | TREATMENT OF INORGANIC BUILDING MATERIALS | Hitachi Chemical Co., Ltd. (JP) | 1993-09-15 | — | — | EP | claimed |
| EP-0047120-B1 | MONOMER COMPOSITIONS, POLYMER CONCRETE COMPOSITIONS CONTAINING THEM AND THEIR USE | ROHM AND HAAS COMPANY (US) | 1985-03-13 | — | — | EP | claimed |