⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23829559 | 0.73 | — | — | |
| SCHEMBL5316278 | 0.73 | — | — | |
| SCHEMBL11408850 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL14058874 | 0.71 | CYP2D6 (0.38) | — | |
| SCHEMBL11102903 | 0.71 | — | — | |
| SCHEMBL31001739 | 0.68 | CES2 (0.32) | — | |
| SCHEMBL28844168 | 0.67 | — | — | |
| SCHEMBL17359984 | 0.66 | — | — | |
| SCHEMBL2807157 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL68915 | 0.65 | TSHR (0.33) | — |
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-20090130613-A1 | Silver Halide color photographic light-sensitive material and color image-forming method | DEGUCHI YASUAKI | 2009-05-21 | — | — | US | disclosed |
| WO-2007122628-A1 | IMPROVED PROCESS FOR PREPARATION OF HIGHLY PURE CEFOTETAN DISODIUM | LUPIN LIMITED (IN) | 2007-11-01 | — | — | WO | disclosed |