⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2566596 | 0.86 | — | — | |
| SCHEMBL3793062 | 0.84 | — | — | |
| SCHEMBL19361397 | 0.77 | EPHX1 (0.34) | — | |
| SCHEMBL27468910 | 0.76 | ALOX15 (0.34) | — | |
| SCHEMBL2046598 | 0.76 | AKR1B1 (0.43) | — | |
| SCHEMBL5314831 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL16921211 | 0.72 | FAAH (0.37) | — | |
| SCHEMBL28536796 | 0.71 | TRPA1 (0.32) | — | |
| SCHEMBL1305240 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL3900731 | 0.70 | TBXAS1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105348457-B | Organic-inorganic composite body and its manufacturing method, organic/inorganic composite film and its manufacturing method, photonic crystal, coating material | 旭化成株式会社 | 2019-04-26 | — | — | CN | disclosed |