⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27792842 | 0.86 | — | — | |
| SCHEMBL6896302 | 0.78 | — | — | |
| SCHEMBL6896570 | 0.78 | — | — | |
| SCHEMBL5728351 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL572580 | 0.69 | — | — | |
| SCHEMBL10891089 | 0.69 | — | — | |
| SCHEMBL2215651 | 0.67 | — | — | |
| SCHEMBL1061182 | 0.67 | FAAH (0.33) | — | |
| SCHEMBL14721553 | 0.65 | — | — | |
| SCHEMBL27548603 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6696576-B2 | POLYTHIOETHERS MAY BE COPOLYMERIZED WITH DIVINYLBENZENE-STYRENE MATRIX; POLLUTION CONTROL | THEW REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2004-02-24 | — | — | US | disclosed |
| US-20020130084-A1 | Thiacrown polymers for removal of mercury from waste streams | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-09-19 | — | — | US | disclosed |
| US-20020117448-A1 | Thiacrown polymers for removal of mercury from waste streams | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-08-29 | — | — | US | disclosed |
| US-6402960-B1 | DIVINYLBENZENE-STYRENE RESIN WITH PENDANT THIACROWN GROUP; COST-EFFECTIVE WATER POLLUTION CONTROL | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-06-11 | — | — | US | disclosed |