⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20550339 | 0.94 | — | — | |
| SCHEMBL9787725 | 0.76 | SLC6A4 (0.31) | — | |
| SCHEMBL15424540 | 0.75 | — | — | |
| SCHEMBL6703558 | 0.74 | GAA (0.31) | — | |
| SCHEMBL17800120 | 0.74 | GAA (0.31) | — | |
| SCHEMBL3657481 | 0.74 | GAA (0.31) | — | |
| SCHEMBL24329981 | 0.72 | GAA (0.31) | — | |
| SCHEMBL11903723 | 0.72 | — | — | |
| SCHEMBL5245937 | 0.72 | CDC25A (0.35) | — | |
| SCHEMBL2449769 | 0.72 | GAA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776598-B | Preparation method of cyclohexyl-containing silane | 矽时代材料科技股份有限公司 | 2021-12-03 | — | — | CN | disclosed |
| CN-109715680-B | Process for preparing high cis-1, 4-polydienes with lanthanide-based catalyst compositions | 株式会社普利司通 | 2021-10-19 | — | — | CN | disclosed |
| US-6268440-B1 | MIXING WATER BASED COMPOSITE RESINS AND POLYSILOXANES WITH CONDENSATION REACTION, DISPERSION AND DISSOLVING | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-07-31 | — | — | US | disclosed |