⚠ 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 | |
|---|---|---|---|---|
| Cystamine SCHEMBL9417963 | 0.79 | TSHR (0.67) | — | |
| Cystamine SCHEMBL445194 | 0.77 | TSHR (0.62) | — | |
| Cystamine SCHEMBL31646100 | 0.77 | TSHR (0.62) | — | |
| Cystamine SCHEMBL9187228 | 0.74 | TSHR (0.59) | — | |
| Cystamine SCHEMBL8660518 | 0.74 | TSHR (0.59) | — | |
| Cystamine SCHEMBL1133055 | 0.74 | TSHR (0.59) | — | |
| Cystamine SCHEMBL28779847 | 0.72 | TSHR (0.63) | — | |
| SCHEMBL142602 | 0.72 | TSHR (0.72) | — | |
| SCHEMBL442368 | 0.71 | — | — | |
| Cystamine SCHEMBL9778156 | 0.71 | TSHR (0.62) | — |
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-7592307-B2 | Releasable linkage and compositions containing same | ALZA CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| US-20080279922-A1 | Releasable linkage and compositions containing same | ALZA CORPORATION | 2008-11-13 | — | — | US | disclosed |
| US-5986042-A | Cross-linked polymer | MITSUI CHEMICALS, INC. (JP) | 1999-11-16 | — | — | US | disclosed |
| EP-0856539-A1 | Cross-linked polymer | Mitsui Chemicals, Inc. (JP) | 1998-08-05 | — | — | EP | disclosed |