⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20734709 | 0.87 | MEN1 (0.33) | — | |
| SCHEMBL2720921 | 0.76 | MCHR1 (0.39) | — | |
| SCHEMBL2717657 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL2718333 | 0.75 | TLR8 (0.39) | — | |
| SCHEMBL22016853 | 0.74 | MCHR1 (0.39) | — | |
| SCHEMBL28961560 | 0.74 | PRKAB2 (0.34) | — | |
| SCHEMBL2718811 | 0.74 | TLR8 (0.42) | — | |
| SCHEMBL12769090 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL2717688 | 0.73 | TLR8 (0.42) | — | |
| SCHEMBL2824303 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019031178-A1 | RESIN COMPOSITION, CURED PRODUCT, SINGLE-LAYER RESIN SHEET, LAMINATED RESIN SHEET, PREPREG, METAL-FOILED LAMINATE SHEET, PRINTED CIRCUIT BOARD, SEALING MATERIAL, FIBER REINFORCED COMPOSITE MATERIAL, AND ADHESIVE AGENT | 三菱瓦斯化学株式会社 | 2019-02-14 | — | — | WO | disclosed |