⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7797515 | 0.71 | — | — | |
| SCHEMBL150470 | 0.70 | DAO (0.31) | — | |
| SCHEMBL9747498 | 0.66 | — | — | |
| SCHEMBL9746253 | 0.62 | — | — | |
| SCHEMBL38657125 | 0.60 | F2 (0.36) | — | |
| SCHEMBL124048 | 0.60 | F2 (0.31) | — | |
| SCHEMBL2768299 | 0.59 | TSHR (0.32) | — | |
| Methacrylic Acid SCHEMBL5606621 | 0.57 | IMPDH2 (0.34) | — | |
| Pentabromophenol SCHEMBL15051552 | 0.57 | ALDH1A1 (0.50) | — | |
| SCHEMBL38660961 | 0.57 | CA1 (0.33) | — |
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-6194495-B1 | CURBLE COMPOSITION WITH ARYLOXYTRIAZINE | GENERAL ELECTRIC COMPANY | 2001-02-27 | — | — | US | disclosed |