⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3392955 | 0.77 | MMP8 (0.33) | — | |
| SCHEMBL17983459 | 0.73 | SLC7A5 (0.30) | — | |
| Acrylic Acid SCHEMBL27845631 | 0.72 | LMNA (0.34) | — | |
| SCHEMBL9638982 | 0.72 | — | — | |
| SCHEMBL737161 | 0.69 | — | — | |
| SCHEMBL790497 | 0.69 | — | — | |
| SCHEMBL4621480 | 0.69 | — | — | |
| SCHEMBL19225056 | 0.69 | — | — | |
| Hydrogen Peroxide SCHEMBL28073128 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL2898782 | 0.67 | — | — |
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-0296275-B2 | Carboxylic acid mixture and process for producing the same | IDEMITSU PETROCHEMICAL CO (JP) | 1996-10-09 | — | — | EP | disclosed |
| EP-0296275-A1 | Carboxylic acid mixture and process for producing the same | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 1988-12-28 | — | — | EP | disclosed |