⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20661454 | 0.80 | SLC6A4 (0.34) | — | |
| SCHEMBL5674863 | 0.79 | — | — | |
| SCHEMBL18157996 | 0.72 | — | — | |
| SCHEMBL278398 | 0.71 | NOS3 (0.38) | — | |
| SCHEMBL349377 | 0.70 | — | — | |
| SCHEMBL17083293 | 0.69 | NAMPT (0.36) | — | |
| Hydrochloric Acid SCHEMBL243770 | 0.69 | — | — | |
| SCHEMBL23380306 | 0.67 | — | — | |
| SCHEMBL14738458 | 0.67 | — | — | |
| SCHEMBL6222333 | 0.66 | — | — |
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-20180094086-A1 | NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER | FUJIFILM CORPORATION (JP) | 2018-04-05 | — | — | US | disclosed |