⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18609737 | 1.00 | — | — | |
| SCHEMBL13333888 | 0.94 | CYP1A2 (0.50) | — | |
| SCHEMBL11990441 | 0.86 | — | — | |
| SCHEMBL11466505 | 0.80 | — | — | |
| SCHEMBL5153614 | 0.79 | CYP1A2 (0.48) | — | |
| SCHEMBL14393428 | 0.78 | — | — | |
| SCHEMBL5139447 | 0.78 | — | — | |
| SCHEMBL7168784 | 0.78 | — | — | |
| SCHEMBL22789099 | 0.78 | — | — | |
| SCHEMBL2508747 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1356987-A | Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds | NEUROSEARCH AS (DK) | 2002-07-03 | — | — | CN | claimed |
| US-20230112832-A1 | Chemokine CXCR4 Receptor Modulators and Uses Related Thereto | UNIV EMORY (US) | 2023-04-13 | — | — | US | disclosed |
| US-20200054623-A1 | Chemokine CXCR4 Receptor Modulators and Uses Related Thereto | EMORY UNIVERSITY | 2020-02-20 | — | — | US | disclosed |
| US-10544146-B2 | Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors | FEDORA PHARMACEUTICALS INC. (CA) | 2020-01-28 | — | — | US | disclosed |
| US-10030019-B2 | Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors | FEDORA PHARMACEUTICALS INC. (CA) | 2018-07-24 | — | — | US | disclosed |
| US-20110028445-A1 | Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-03 | — | — | US | disclosed |
| WO-2008095944-A1 | 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE | EISAI R&D MANAGEMENT CO. LTD. (JP) | 2008-08-14 | — | — | WO | disclosed |
| US-20070259923-A1 | MGluR5 modulators IV | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | US | disclosed |