⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1016517 | 0.74 | — | — | |
| SCHEMBL8595950 | 0.68 | — | — | |
| SCHEMBL964399 | 0.67 | — | — | |
| SCHEMBL1019510 | 0.67 | — | — | |
| SCHEMBL8960289 | 0.65 | — | — | |
| SCHEMBL1454628 | 0.65 | — | — | |
| SCHEMBL2118126 | 0.65 | — | — | |
| SCHEMBL1454263 | 0.64 | — | — | |
| SCHEMBL1453007 | 0.64 | — | — | |
| SCHEMBL1452904 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100591710-C | Aqueous compositions with poorly water soluble compounds | ROHM & HAAS | 2010-02-24 | — | — | CN | disclosed |
| CN-1781967-A | Aqueous compositions with poorly water soluble compounds | ROHM & HAAS (US) | 2006-06-07 | — | — | CN | disclosed |
| US-4853266-A | Liquid absorbing and immobilizing packet containing a material for treating the absorbed liquid | MULTIFORM DESICCANTS, INC. (US) | 1989-08-01 | — | — | US | disclosed |