⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9380573 | 0.75 | GAA (0.50) | — | |
| SCHEMBL9853056 | 0.75 | TSHR (0.55) | — | |
| SCHEMBL9853075 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL29599022 | 0.75 | TSHR (0.61) | — | |
| SCHEMBL5741106 | 0.75 | TSHR (0.61) | — | |
| SCHEMBL12865444 | 0.74 | — | — | |
| SCHEMBL2970124 | 0.72 | — | — | |
| SCHEMBL25978623 | 0.72 | — | — | |
| SCHEMBL255150 | 0.70 | — | — | |
| SCHEMBL18833102 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0409413-B1 | Diaryl ether heterocycles | ICI PLC (GB) | 1994-08-03 | — | — | EP | claimed |
| US-5208259-A | Lipoxygenase enzyme inhibitors | IMPERIAL CHEMICAL INDUSTRIES (GB) | 1993-05-04 | — | — | US | claimed |
| EP-0409413-A2 | Diaryl ether heterocycles | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-23 | — | — | EP | claimed |
| EP-0409413-B1 | Diaryl ether heterocycles | ICI PLC (GB) | 1994-08-03 | — | — | EP | disclosed |
| US-5208259-A | Lipoxygenase enzyme inhibitors | IMPERIAL CHEMICAL INDUSTRIES (GB) | 1993-05-04 | — | — | US | disclosed |
| EP-0409413-A2 | Diaryl ether heterocycles | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-23 | — | — | EP | disclosed |