⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15058597 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL758780 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL15361928 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL18419647 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL15057590 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL418028 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL8936502 | 0.77 | — | — | |
| SCHEMBL3867281 | 0.77 | — | — | |
| SCHEMBL29142563 | 0.77 | — | — | |
| SCHEMBL2862133 | 0.76 | TSHR (0.57) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1087926-A2 | ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS | Alpharma-Isis GmbH & Co. KG (DE) | 2001-04-04 | — | — | EP | disclosed |
| EP-1023307-A1 | NOVEL NITRIC ESTERS OF PENTAERYTHRITOL | ISIS PHARMA GMBH (DE) | 2000-08-02 | — | — | EP | disclosed |
| WO-1999067430-A2 | ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS | ALPHARMA-ISIS GMBH & CO. KG (DE) | 1999-12-29 | — | — | WO | disclosed |
| WO-1999020638-A1 | NOVEL NITRIC ESTERS OF PENTAERYTHRITOL | ISIS PHARMA GMBH (DE) | 1999-04-29 | — | — | WO | disclosed |