⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6446353 | 0.69 | — | — | |
| SCHEMBL6526614 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL318889 | 0.65 | — | — | |
| SCHEMBL4729082 | 0.64 | — | — | |
| SCHEMBL4121312 | 0.62 | — | — | |
| SCHEMBL920278 | 0.61 | IDO1 (0.38) | — | |
| SCHEMBL8135150 | 0.60 | — | — | |
| SCHEMBL175436 | 0.60 | — | — | |
| SCHEMBL919691 | 0.60 | IDO1 (0.37) | — | |
| SCHEMBL6423160 | 0.59 | ALDH1A1 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5368783-A | Novolak resin or polyhydroxystyrene resin, alkoxymethylated amino resin and triazine | TOKYO OHKA KOGYO CO., LTD. (JP) | 1994-11-29 | — | — | US | claimed |
| US-20090181970-A1 | Functionalized diarylisoxazoles inhibitors of ciclooxygenase | UNIVERSITA' DEGLI STUDI DI BARI (IT) | 2009-07-16 | — | — | US | disclosed |
| US-5368783-A | Novolak resin or polyhydroxystyrene resin, alkoxymethylated amino resin and triazine | TOKYO OHKA KOGYO CO., LTD. (JP) | 1994-11-29 | — | — | US | disclosed |