⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9764556 | 0.89 | ALDH1A1 (0.36) | — | |
| SCHEMBL6565516 | 0.87 | — | — | |
| SCHEMBL9764048 | 0.87 | CA12 (0.31) | — | |
| SCHEMBL15796949 | 0.85 | — | — | |
| SCHEMBL1615427 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL19970654 | 0.83 | CA12 (0.31) | — | |
| SCHEMBL17689811 | 0.82 | — | — | |
| SCHEMBL26660027 | 0.81 | — | — | |
| SCHEMBL26660020 | 0.81 | — | — | |
| SCHEMBL3038689 | 0.81 | CA12 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2019387-A | — | — | None | — | — | JP | disclosed |
| US-5075459-A | Organosilicon compound | TOSHIBA SILICONE CO., LTD. (JP) | 1991-12-24 | — | — | US | disclosed |
| US-4990641-A | Crosslinking agent, modifier for composites | TOSHIBA SILICONE CO., LTD. (JP) | 1991-02-05 | — | — | US | disclosed |
| JP-H0219387-A | ORGANOSILICON COMPOUND AND PRODUCTION THEREOF | TOSHIBA SILICONE CO LTD | 1990-01-23 | — | — | JP | disclosed |