⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3243312 | 0.96 | — | — | |
| SCHEMBL8717850 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL8715781 | 0.94 | — | — | |
| SCHEMBL27432568 | 0.81 | ACHE (0.33) | — | |
| SCHEMBL6910589 | 0.78 | — | — | |
| SCHEMBL28623525 | 0.74 | — | — | |
| Biphenyl SCHEMBL8162884 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL9004769 | 0.70 | HSD11B1 (0.31) | — | |
| SCHEMBL7520963 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL8468850 | 0.69 | MAOB (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104693972-A | Coating | WANG WENHAO | 2015-06-10 | — | — | CN | disclosed |
| EP-1525513-A2 | INFRARED-SENSITIVE COMPOSITION CONTAINING A METALLOCENE DERIVATIVE | Kodak Polychrome Graphics (US) | 2005-04-27 | — | — | EP | disclosed |
| WO-2004013699-A2 | INFRARED-SENSITIVE COMPOSITION CONTAINING A METALLOCENE DERIVATIVE | KODAK POLYCHROME GRAPHICS, LLC (US) | 2004-02-12 | — | — | WO | disclosed |