⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4747479 | 1.00 | — | — | |
| SCHEMBL4747077 | 0.78 | SLC22A6 (0.55) | — | |
| SCHEMBL4747078 | 0.78 | SLC22A6 (0.55) | — | |
| SCHEMBL28006914 | 0.77 | SLC22A6 (0.39) | — | |
| SCHEMBL197015 | 0.75 | — | — | |
| SCHEMBL15101209 | 0.75 | — | — | |
| SCHEMBL198166 | 0.75 | — | — | |
| SCHEMBL197016 | 0.75 | — | — | |
| SCHEMBL18591513 | 0.75 | TDP1 (0.38) | — | |
| SCHEMBL30496763 | 0.74 | SLC22A6 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008113190-A1 | METHOD FOR THE PRODUCTION OF R-HYDROXYCARBOXYLIC ACIDS | EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) | 2008-09-25 | — | — | WO | claimed |
| WO-2008113190-A1 | METHOD FOR THE PRODUCTION OF R-HYDROXYCARBOXYLIC ACIDS | EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) | 2008-09-25 | — | — | WO | disclosed |