⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL102072 | 0.81 | CYP3A4 (0.39) | — | |
| SCHEMBL101710 | 0.81 | CYP3A4 (0.33) | — | |
| SCHEMBL1312076 | 0.80 | CYP3A4 (0.50) | — | |
| SCHEMBL1312705 | 0.80 | CYP3A4 (0.50) | — | |
| SCHEMBL18862836 | 0.78 | — | — | |
| SCHEMBL10490649 | 0.74 | — | — | |
| SCHEMBL2344465 | 0.73 | MAPK1 (0.37) | — | |
| SCHEMBL103590 | 0.71 | MAPK1 (0.30) | — | |
| SCHEMBL10490679 | 0.70 | GRIN2D (0.30) | — | |
| SCHEMBL9360202 | 0.70 | HSD17B10 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426102-A1 | PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING | Sumitomo Chemical Company, Limited (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20120035395-A1 | PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-02-09 | — | — | US | disclosed |