⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL27774443 | 0.79 | — | — | |
| SCHEMBL1234336 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL9501577 | 0.77 | TSHR (0.32) | — | |
| Ethylene Glycol SCHEMBL28222691 | 0.75 | TSHR (0.30) | — | |
| Acetic Acid SCHEMBL10803212 | 0.72 | TSHR (0.35) | — | |
| Acetic Acid SCHEMBL28146453 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL10325546 | 0.70 | CYP3A4 (0.36) | — | |
| SCHEMBL11385818 | 0.70 | CYP3A4 (0.32) | — | |
| Hydrogen Peroxide SCHEMBL16402637 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL12828010 | 0.69 | — | — |
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-4059581-A | Heterocyclic nitrogen containing siloxanes | UNION CARBIDE CORPORATION (US) | 1977-11-22 | — | — | US | disclosed |