⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11444678 | 0.72 | — | — | |
| SCHEMBL11267872 | 0.72 | THRB (0.33) | — | |
| SCHEMBL11563237 | 0.70 | — | — | |
| SCHEMBL2377911 | 0.69 | — | — | |
| SCHEMBL11444524 | 0.69 | — | — | |
| SCHEMBL11329665 | 0.67 | — | — | |
| SCHEMBL2064904 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL16564439 | 0.65 | — | — | |
| SCHEMBL11551131 | 0.64 | — | — | |
| SCHEMBL4429855 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996024558-A1 | METHOD AND APPARATUS FOR THERMAL DECOMPOSITION AND SEPARATION OF COMPONENTS WITHIN AN AQUEOUS STREAM | HPR CORPORATION (US) | 1996-08-15 | — | — | WO | disclosed |