⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL406848 | 0.77 | TYMS (0.50) | — | |
| SCHEMBL16267868 | 0.76 | TYMS (0.48) | — | |
| SCHEMBL5540735 | 0.76 | TYMS (0.48) | — | |
| SCHEMBL11196600 | 0.70 | LMNA (0.48) | — | |
| SCHEMBL10946198 | 0.69 | TYMS (0.39) | — | |
| SCHEMBL15129163 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL11089857 | 0.64 | LMNA (0.42) | — | |
| SCHEMBL543959 | 0.64 | AKR1B1 (0.42) | — | |
| SCHEMBL1032545 | 0.64 | LMNA (0.53) | — | |
| SCHEMBL6512044 | 0.63 | BTN3A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007075028-A1 | NOVEL METAL(III)-CHROMIUM-PHOSPHATE COMPLEX AND USE THEREOF | LG CHEM, LTD. (KR) | 2007-07-05 | — | — | WO | disclosed |
| US-20070148520-A1 | Novel metal (III) -chromium-phosphate complex and use thereof | LG CHEM, LTD. (KR) | 2007-06-28 | — | — | US | disclosed |