⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5019145 | 0.89 | PRMT3 (0.53) | — | |
| SCHEMBL17263766 | 0.83 | EPHX1 (0.48) | — | |
| SCHEMBL21565289 | 0.81 | — | — | |
| SCHEMBL1793896 | 0.80 | — | — | |
| SCHEMBL48384 | 0.80 | — | — | |
| SCHEMBL925991 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28738349 | 0.76 | — | — | |
| SCHEMBL9947081 | 0.72 | PRMT3 (0.48) | — | |
| SCHEMBL8851267 | 0.72 | PRMT3 (0.48) | — | |
| SCHEMBL13542552 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |