⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9740105 | 1.00 | — | — | |
| SCHEMBL4039458 | 0.94 | NOS3 (0.37) | — | |
| SCHEMBL4039461 | 0.94 | NOS3 (0.37) | — | |
| SCHEMBL9860940 | 0.94 | NOS3 (0.37) | — | |
| SCHEMBL16274089 | 0.79 | HTT (0.44) | — | |
| SCHEMBL17702650 | 0.79 | HTT (0.44) | — | |
| SCHEMBL31621900 | 0.78 | NOS1 (0.37) | — | |
| SCHEMBL7631294 | 0.77 | TSHR (0.47) | — | |
| SCHEMBL14799260 | 0.75 | — | — | |
| SCHEMBL11154190 | 0.75 | NOS1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5171872-A | Method for the preparation of an oximesilane without coloration | SHIN-ETSU CHEMICAL COMPANY, LIMITED (JP) | 1992-12-15 | — | — | US | disclosed |