⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6933105 | 0.86 | — | — | |
| SCHEMBL334366 | 0.84 | CA12 (0.32) | — | |
| SCHEMBL333518 | 0.84 | — | — | |
| SCHEMBL333726 | 0.79 | — | — | |
| SCHEMBL28347771 | 0.75 | — | — | |
| SCHEMBL333495 | 0.74 | CA12 (0.33) | — | |
| SCHEMBL333631 | 0.71 | — | — | |
| SCHEMBL333660 | 0.69 | CA12 (0.32) | — | |
| SCHEMBL333521 | 0.66 | — | — | |
| SCHEMBL333411 | 0.66 | CA12 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6528673-B2 | Reacting a mercaptosilane and a monoacid anhydride corresponding to a thioester group present in the desired product, or reacting alkali salt of a mercaptosilane with an acid anhydride or acid halide or transesterification | CROMPTON CORPORATION | 2003-03-04 | — | — | US | disclosed |
| US-20020055646-A1 | Reacting a mercaptosilane and a monoacid anhydride corresponding to a thioester group present in the desired product, or reacting alkali salt of a mercaptosilane with an acid anhydride or acid halide or transesterification | WITCO CORPORATION | 2002-05-09 | — | — | US | disclosed |