⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13479370 | 0.90 | HTR2A (0.32) | — | |
| SCHEMBL13997577 | 0.89 | EPHX1 (0.31) | — | |
| SCHEMBL17303005 | 0.83 | — | — | |
| SCHEMBL13589429 | 0.68 | — | — | |
| SCHEMBL13667314 | 0.68 | — | — | |
| SCHEMBL29122196 | 0.67 | — | — | |
| SCHEMBL3071603 | 0.66 | — | — | |
| SCHEMBL17154462 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL29121655 | 0.65 | KISS1R (0.32) | — | |
| SCHEMBL14002495 | 0.64 | — | — |
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-7446102-B2 | Antibacterial amide macrocycles IV | AICURIS GMBH & CO. KG (DE) | 2008-11-04 | — | — | US | disclosed |
| US-20080076745-A1 | ANTIBACTERIAL AMIDE MACROCYCLES IV | AICURIS GMBH & CO. KG (DE) | 2008-03-27 | — | — | US | disclosed |