⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7912566 | 0.82 | — | — | |
| SCHEMBL637507 | 0.82 | — | — | |
| SCHEMBL772803 | 0.82 | — | — | |
| SCHEMBL4754346 | 0.82 | — | — | |
| SCHEMBL6468279 | 0.82 | — | — | |
| SCHEMBL25029468 | 0.79 | TDP1 (0.40) | — | |
| SCHEMBL9656038 | 0.78 | — | — | |
| SCHEMBL9720162 | 0.78 | — | — | |
| SCHEMBL1132236 | 0.78 | — | — | |
| SCHEMBL30351081 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102030755-B | Method for preparing high-purity triethylene diamine | XIAN MODERN CHEMISTRY RES INST | 2012-05-30 | — | — | CN | claimed |
| CN-102030755-A | Method for preparing high-purity triethylene diamine | XI AN MODERN CHEMISTRY RES INST | 2011-04-27 | — | — | CN | claimed |
| CN-102030755-B | Method for preparing high-purity triethylene diamine | XIAN MODERN CHEMISTRY RES INST | 2012-05-30 | — | — | CN | disclosed |
| CN-102030755-A | Method for preparing high-purity triethylene diamine | XI AN MODERN CHEMISTRY RES INST | 2011-04-27 | — | — | CN | disclosed |
| WO-1993010883-A1 | LEAN ACID GAS ENRICHMENT WITH SELECTIVE HINDERED AMINES | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1993-06-10 | — | — | WO | disclosed |