⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18964044 | 0.85 | SLC6A4 (0.33) | — | |
| SCHEMBL22892751 | 0.85 | SLC6A4 (0.33) | — | |
| SCHEMBL5019047 | 0.85 | KDM4E (0.39) | — | |
| SCHEMBL332676 | 0.76 | — | — | |
| SCHEMBL21105113 | 0.76 | — | — | |
| SCHEMBL26382330 | 0.76 | — | — | |
| SCHEMBL27451732 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL178419 | 0.76 | — | — | |
| SCHEMBL14185967 | 0.76 | — | — | |
| SCHEMBL21983908 | 0.75 | KISS1R (0.36) | — |
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 |