⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9305295 | 0.79 | — | — | |
| SCHEMBL20296465 | 0.68 | ELANE (0.36) | — | |
| SCHEMBL10890658 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL9306922 | 0.68 | — | — | |
| SCHEMBL9306224 | 0.67 | GAA (0.32) | — | |
| SCHEMBL8094344 | 0.66 | GABRA1 (0.37) | — | |
| SCHEMBL9306661 | 0.66 | GRIN2D (0.37) | — | |
| SCHEMBL31218399 | 0.63 | — | — | |
| SCHEMBL168554 | 0.62 | GRIN2D (0.36) | — | |
| SCHEMBL12578323 | 0.61 | GABRA1 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |