⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3486966 | 0.91 | — | — | |
| SCHEMBL305307 | 0.91 | — | — | |
| SCHEMBL42404 | 0.91 | — | — | |
| SCHEMBL721480 | 0.83 | — | — | |
| SCHEMBL2547490 | 0.83 | — | — | |
| SCHEMBL16469635 | 0.83 | — | — | |
| SCHEMBL7615290 | 0.83 | — | — | |
| SCHEMBL1369276 | 0.83 | — | — | |
| SCHEMBL914633 | 0.83 | — | — | |
| Phosphine SCHEMBL22273599 | 0.83 | — | — |
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 |