⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5369837 | 0.78 | — | — | |
| SCHEMBL14760122 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL9410408 | 0.75 | — | — | |
| SCHEMBL31337760 | 0.73 | — | — | |
| SCHEMBL30372721 | 0.73 | — | — | |
| SCHEMBL30372528 | 0.73 | — | — | |
| SCHEMBL28642028 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL28095774 | 0.67 | — | — | |
| SCHEMBL14760155 | 0.65 | TSHR (0.43) | — | |
| SCHEMBL1724859 | 0.65 | ALDH1A1 (0.38) | — |
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-2020145178-A1 | INTERPENETRATING NETWORK POLYMER COMPRISING CROSSLINKED ORGANOPOLYSILOXANE AND (METH)ACRYLIC POLYMER, AND METHOD FOR PRODUCING SAME | 信越化学工業株式会社 | 2020-07-16 | — | — | WO | disclosed |