⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL540055 | 0.80 | — | — | |
| SCHEMBL5608457 | 0.78 | CRHBP (0.39) | — | |
| SCHEMBL6229807 | 0.75 | PKM (0.42) | — | |
| SCHEMBL9186548 | 0.74 | — | — | |
| SCHEMBL5607930 | 0.72 | PKM (0.42) | — | |
| SCHEMBL31226196 | 0.72 | THRB (0.39) | — | |
| SCHEMBL31226298 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL31226224 | 0.72 | DYRK3 (0.32) | — | |
| SCHEMBL20733439 | 0.71 | SIGMAR1 (0.33) | — | |
| SCHEMBL75776 | 0.71 | SIGMAR1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0897747-B1 | NITRATION OR CARBOXYLATION CATALYSTS | DAICEL CHEM (JP) | 2006-04-05 | — | — | EP | disclosed |
| EP-1574495-A1 | Adamantane derivatives | Daicel Chemical Industries, Ltd. (JP) | 2005-09-14 | — | — | EP | disclosed |
| EP-1574494-A1 | Adamantane derivative | Daicel Chemical Industries, Ltd. (JP) | 2005-09-14 | — | — | EP | disclosed |
| US-6468487-B1 | SUCH AS N-HYDROXYPHTHALIMIDE; DIRECTLY AND EFFICIENTLY REACTING ADAMANTANE WITH NITROGEN OXIDE OR WITH CARBON MONOXIDE AND OXYGEN | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-22 | — | — | US | disclosed |
| EP-0897747-A1 | NITRATION OR CARBOXYLATION CATALYSTS | Daicel Chemical Industries, Ltd. (JP) | 1999-02-24 | — | — | EP | disclosed |