⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1331313 | 0.94 | — | — | |
| SCHEMBL20475 | 0.94 | — | — | |
| SCHEMBL1276473 | 0.94 | TSHR (0.36) | — | |
| SCHEMBL935643 | 0.94 | — | — | |
| SCHEMBL8410071 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL10394131 | 0.88 | — | — | |
| Hydrogen Sulfide SCHEMBL15659292 | 0.88 | — | — | |
| Water SCHEMBL10594279 | 0.88 | TSHR (0.33) | — | |
| Water SCHEMBL21954509 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL3896205 | 0.88 | — | — |
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-5693839-A | MIXING A MONOMERIC OR OLIGOMERIC HYDROGENSILANE WITH A SOLVENT THAT PROVIDES A SOLUTION WITH A HIGH IGNITION POINT; STORAGE STABILITY; NONFLAMMABLE; NONEXPLOSIVE | WACKER-CHEMIE GMBH (DE) | 1997-12-02 | — | — | US | disclosed |