⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7994661 | 0.94 | — | — | |
| SCHEMBL11454707 | 0.92 | ALDH1A1 (0.35) | — | |
| SCHEMBL6932011 | 0.84 | OPRM1 (0.33) | — | |
| SCHEMBL13443562 | 0.81 | TRPV1 (0.36) | — | |
| SCHEMBL28516432 | 0.77 | — | — | |
| SCHEMBL388813 | 0.74 | — | — | |
| SCHEMBL1495957 | 0.74 | — | — | |
| SCHEMBL10591407 | 0.73 | — | — | |
| SCHEMBL2563803 | 0.71 | — | — | |
| SCHEMBL4576006 | 0.71 | — | — |
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-5801114-A | Catalysts selective for the reduction of nitrogen oxides to nitrogen in an oxidizing medium, a process for their preparation and their use | INSTITUT FRANCAIS DU PETROLE (FR) | 1998-09-01 | — | — | US | disclosed |