⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL5269500 | 1.00 | — | — | |
| SCHEMBL537757 | 0.96 | — | — | |
| Bicarbonate SCHEMBL21456760 | 0.93 | ACHE (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL453946 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL17223995 | 0.81 | — | — | |
| SCHEMBL3359099 | 0.80 | ACHE (0.35) | — | |
| SCHEMBL30671765 | 0.78 | ACHE (0.33) | — | |
| Carbamic Acid SCHEMBL27956982 | 0.77 | ACHE (0.58) | — | |
| SCHEMBL228466 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL17746891 | 0.76 | — | — |
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-113698657-A | Novel PU coordination substance foaming agent and preparation method thereof | 天津市红百丽科工贸有限公司 | 2021-11-26 | — | — | CN | claimed |
| EP-2671864-B1 | METHOD FOR PRODUCING XYLYLENEDIAMINE | MITSUBISHI GAS CHEMICAL CO (JP) | 2017-03-15 | — | — | EP | disclosed |
| US-9024070-B2 | Method for producing xylylenediamine | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2015-05-05 | — | — | US | disclosed |
| EP-2671864-A1 | METHOD FOR PRODUCING XYLYLENEDIAMINE | Mitsubishi Gas Chemical Company, Inc. (JP) | 2013-12-11 | — | — | EP | disclosed |
| US-20130296609-A1 | METHOD FOR PRODUCING XYLYLENEDIAMINE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2013-11-07 | — | — | US | disclosed |