⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3407497 | 0.76 | — | — | |
| SCHEMBL7990718 | 0.67 | — | — | |
| SCHEMBL283495 | 0.65 | — | — | |
| SCHEMBL2230198 | 0.65 | — | — | |
| SCHEMBL3909589 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL6338022 | 0.61 | — | — | |
| SCHEMBL1071593 | 0.60 | — | — | |
| SCHEMBL910200 | 0.59 | — | — | |
| SCHEMBL1480969 | 0.59 | — | — | |
| SCHEMBL1070545 | 0.59 | TSHR (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1470136-B1 | METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS | BASF AG (DE) | 2007-03-28 | — | — | EP | disclosed |