⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10578746 | 0.97 | — | — | |
| SCHEMBL15018414 | 0.71 | GAA (0.39) | — | |
| SCHEMBL10816382 | 0.71 | GAA (0.39) | — | |
| SCHEMBL16241615 | 0.71 | GAA (0.39) | — | |
| SCHEMBL14841267 | 0.70 | GAA (0.35) | — | |
| SCHEMBL29028773 | 0.69 | CYP1A2 (0.41) | — | |
| SCHEMBL5242776 | 0.69 | — | — | |
| SCHEMBL223265 | 0.69 | — | — | |
| SCHEMBL20917250 | 0.69 | — | — | |
| SCHEMBL2442076 | 0.69 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2173097-A | — | — | None | — | — | JP | disclosed |
| JP-2173098-A | — | — | None | — | — | JP | disclosed |
| WO-2018093696-A1 | INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |
| JP-H02173097-A | BLEACHING AND COMPOSITION | LION CORP | 1990-07-04 | — | — | JP | disclosed |
| JP-H02173098-A | BLEACHING AID COMPOSITION | LION CORP | 1990-07-04 | — | — | JP | disclosed |
| US-4931562-A | Piperidines | LION CORPORATION (JP) | 1990-06-05 | — | — | US | disclosed |
| US-4931562-A | Piperidines | LION CORPORATION (JP) | 1990-06-05 | — | — | US | disclosed |
| EP-0328697-A1 | Bleaching composition | LION CORPORATION (JP) | 1989-08-23 | — | — | EP | disclosed |
| EP-0328697-A1 | Bleaching composition | LION CORPORATION (JP) | 1989-08-23 | — | — | EP | disclosed |
| US-4820437-A | MIXTURE OF HYDROGEN PEROXIDE AND NITROGEN CONTAINING HETEROCYCLIC ACTIVATORS | LION CORPORATION (JP) | 1989-04-11 | — | — | US | disclosed |
| US-4820437-A | MIXTURE OF HYDROGEN PEROXIDE AND NITROGEN CONTAINING HETEROCYCLIC ACTIVATORS | LION CORPORATION (JP) | 1989-04-11 | — | — | US | disclosed |