⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12134779 | 0.72 | — | — | |
| SCHEMBL863215 | 0.72 | — | — | |
| SCHEMBL18878593 | 0.62 | — | — | |
| SCHEMBL12380126 | 0.62 | — | — | |
| SCHEMBL411726 | 0.62 | — | — | |
| SCHEMBL12886601 | 0.62 | — | — | |
| SCHEMBL18594675 | 0.62 | — | — | |
| SCHEMBL12134786 | 0.62 | — | — | |
| SCHEMBL47748 | 0.53 | — | — | |
| SCHEMBL12055953 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120229992-A1 | MULTILAYERED COMPOSITE SYSTEMS, PRODUCTION THEREOF AND USE THEREOF | BASF SE (DE) | 2012-09-13 | — | — | US | disclosed |
| US-8178490-B2 | Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof | REMPEX PHARMACEUTICALS, INC. (US) | 2012-05-15 | — | — | US | disclosed |
| US-20100152098-A1 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| US-20100152238-A1 | NOVEL QUINONOID DERIVATIVES OF CANNABINOIDS AND THEIR USE IN THE TREATMENT OF MALIGNANCIES | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2010-06-17 | — | — | US | disclosed |