⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27504699 | 0.77 | — | — | |
| SCHEMBL27556463 | 0.77 | — | — | |
| Water SCHEMBL27407080 | 0.75 | — | — | |
| SCHEMBL14110582 | 0.72 | — | — | |
| SCHEMBL2697903 | 0.70 | — | — | |
| SCHEMBL10719204 | 0.70 | — | — | |
| SCHEMBL27619972 | 0.69 | — | — | |
| SCHEMBL2138542 | 0.68 | — | — | |
| Water SCHEMBL27397330 | 0.67 | — | — | |
| SCHEMBL8736698 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6933403-B2 | Mono carbonylation of benzene diols | BIOLAND CO., LTD. (KR) | 2005-08-23 | — | — | US | disclosed |
| US-20040260114-A1 | Mono carbonylation of benzene diols | HYUNDAI BIOLAND CO., LTD. (KR) | 2004-12-23 | — | — | US | disclosed |
| WO-2003033449-A1 | MONO CARBONYLATION OF BENZENE DIOLS | BIOLAND CO., LTD (KR) | 2003-04-24 | — | — | WO | disclosed |