⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11207127 | 1.00 | — | — | |
| SCHEMBL27546242 | 0.93 | OPRM1 (0.35) | — | |
| SCHEMBL28911642 | 0.93 | OPRM1 (0.35) | — | |
| SCHEMBL28468408 | 0.93 | OPRM1 (0.35) | — | |
| SCHEMBL28911655 | 0.93 | OPRM1 (0.35) | — | |
| SCHEMBL28911641 | 0.93 | OPRM1 (0.35) | — | |
| SCHEMBL10623720 | 0.85 | KDM4E (0.35) | — | |
| SCHEMBL5068858 | 0.77 | — | — | |
| SCHEMBL10479105 | 0.74 | — | — | |
| SCHEMBL10619688 | 0.74 | SMN1; SMN2 (0.33) | — |
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-0029892-B1 | USE OF ALCALI OR AMINO SALTS OF A MIXTURE OF 2- AND 3-ALKYL-ADIPINIC ACIDS AS CORROSION INHIBITOR | CHEMISCHE WERKE HÜLS AG (DE) | 1983-11-02 | — | — | EP | disclosed |
| EP-0029892-A1 | Use of alcali or amino salts of a mixture of 2- and 3-alkyl-adipinic acids as corrosion inhibitor | CHEMISCHE WERKE HÜLS AG (DE) | 1981-06-10 | — | — | EP | disclosed |