⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10399417 | 0.98 | — | — | |
| SCHEMBL11010855 | 0.87 | — | — | |
| SCHEMBL11013401 | 0.83 | — | — | |
| SCHEMBL10400643 | 0.81 | IMPDH2 (0.31) | — | |
| SCHEMBL11011648 | 0.80 | POLB (0.31) | — | |
| SCHEMBL18155000 | 0.70 | — | — | |
| SCHEMBL29947962 | 0.68 | — | — | |
| SCHEMBL11011490 | 0.68 | MEN1 (0.30) | — | |
| SCHEMBL10400345 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL10399420 | 0.67 | TSHR (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4924021-A | Cyclic phenol organosilanes and method for their preparation | HUELS AKTIENGESELLSCHAFT (DE) | 1990-05-08 | — | — | US | disclosed |
| EP-0132651-A2 | Use of cyclic phenol organosilane ester | HÜLS AKTIENGESELLSCHAFT (DE) | 1985-02-13 | — | — | EP | disclosed |