⚠ 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 | |
|---|---|---|---|---|
| Silicate SCHEMBL10703954 | 0.94 | — | — | |
| Silicate SCHEMBL9396651 | 0.94 | — | — | |
| Silicate SCHEMBL7759254 | 0.88 | — | — | |
| Silicate SCHEMBL1790421 | 0.88 | — | — | |
| Silicate SCHEMBL14353289 | 0.88 | — | — | |
| Silicate SCHEMBL913487 | 0.88 | — | — | |
| Silicate SCHEMBL1369954 | 0.88 | — | — | |
| Silicate SCHEMBL22687582 | 0.88 | — | — | |
| Silicate SCHEMBL22273598 | 0.88 | — | — | |
| Silicate SCHEMBL721478 | 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-5493061-A | USING PEROXIDE AS OXIDANT AND TITANIUM SILICATE MOLECULAR SIEVE CATALYST | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 1996-02-20 | — | — | US | disclosed |