⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13017396 | 0.81 | — | — | |
| SCHEMBL18902734 | 0.76 | — | — | |
| SCHEMBL2031050 | 0.76 | — | — | |
| SCHEMBL14292257 | 0.76 | — | — | |
| SCHEMBL14639618 | 0.76 | — | — | |
| SCHEMBL12812138 | 0.75 | — | — | |
| SCHEMBL18455127 | 0.74 | — | — | |
| SCHEMBL15919012 | 0.72 | — | — | |
| SCHEMBL13346129 | 0.70 | — | — | |
| SCHEMBL12515955 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3978492-A1 | BICYCLIC COMPOUND AS RIP-1 KINASE INHIBITOR AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2022-04-06 | — | — | EP | disclosed |
| EP-2534152-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-02 | — | — | EP | disclosed |
| EP-3222615-A1 | PSMA-BINDING AGENTS AND USES THEREOF | The Johns Hopkins University (US) | 2017-09-27 | — | — | EP | disclosed |
| WO-2010136474-A2 | SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS | NOVARTIS AG (CH) | 2010-12-02 | — | — | WO | disclosed |
| WO-2010043000-A1 | S1P RECEPTORS MODULATORS AND THEIR USE THEREOF | AKAAL PHARMA PTY LTD (AU) | 2010-04-22 | — | — | WO | disclosed |
| WO-2010042998-A1 | S1P RECEPTORS MODULATORS | AKAAL PHARMA PTY LTD (AU) | 2010-04-22 | — | — | WO | disclosed |
| WO-2010034931-A1 | NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF | CIS-BIO INTERNATIONAL (FR) | 2010-04-01 | — | — | WO | disclosed |