⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL355733 | 0.83 | LMNA (0.31) | — | |
| SCHEMBL1568263 | 0.80 | FDPS (0.36) | — | |
| SCHEMBL6427301 | 0.79 | CA2 (0.32) | — | |
| SCHEMBL28021691 | 0.77 | — | — | |
| SCHEMBL28940316 | 0.76 | — | — | |
| SCHEMBL2733201 | 0.74 | — | — | |
| SCHEMBL1537255 | 0.72 | — | — | |
| SCHEMBL9018535 | 0.72 | — | — | |
| SCHEMBL500658 | 0.72 | — | — | |
| Sulfuric Acid SCHEMBL28426100 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0832854-B1 | Method for inhibiting calcium carbonate scale by using sulfobetaine-containing polymers | NALCO CHEMICAL CO (US) | 2001-12-12 | — | — | EP | disclosed |
| US-6225430-B1 | FOR INHIBITING PRECIPITATION AND DEPOSITION OF SCALE ON METAL SURFACES IN CONTACT WITH INDUSTRIAL COOLING WATERS | NALCO CHEMICAL COMPANY | 2001-05-01 | — | — | US | disclosed |
| EP-0832854-A1 | Sulfobetaine-containing polymers and their utility as calcium carbonate scale inhibitors | NALCO CHEMICAL COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |