⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27570459 | 0.83 | ALDH1A1 (0.45) | — | |
| SCHEMBL8363293 | 0.79 | PAOX (0.50) | — | |
| SCHEMBL20200019 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL6914208 | 0.73 | — | — | |
| SCHEMBL3801102 | 0.73 | — | — | |
| SCHEMBL26454524 | 0.71 | — | — | |
| SCHEMBL521654 | 0.70 | TSHR (0.57) | — | |
| SCHEMBL29082624 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL10001 | 0.69 | — | — | |
| SCHEMBL28060459 | 0.69 | ALDH1A1 (1.00) | — |
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-2001070750-A1 | METHOD FOR ADDING SI- OR GE-BONDED HYDROGEN TO AN ALIPHATIC CARBON-CARBON MULTIPLE BOND | WACKER-CHEMIE GMBH (DE) | 2001-09-27 | — | — | WO | disclosed |