⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2059912 | 0.77 | — | — | |
| SCHEMBL15513862 | 0.76 | CYP1A2 (0.32) | — | |
| SCHEMBL4444886 | 0.75 | KYNU (0.30) | — | |
| SCHEMBL8661781 | 0.74 | — | — | |
| SCHEMBL15755537 | 0.74 | GSK3B (0.45) | — | |
| SCHEMBL7615261 | 0.72 | BLM (0.33) | — | |
| Phthalic Acid SCHEMBL28090264 | 0.72 | SLC7A5 (0.45) | — | |
| Histidine SCHEMBL28098393 | 0.72 | CYP1A2 (0.49) | — | |
| SCHEMBL5597118 | 0.72 | CYP3A4 (0.33) | — | |
| Histidine SCHEMBL16166274 | 0.70 | SLC7A5 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100036014-A1 | STABILIZED ANTIMICROBIAL POLYCARBONATE COMPOSITIONS | BAYER MATERIALSCIENCE LLC | 2010-02-11 | — | — | US | disclosed |