⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10938 | 1.00 | — | — | |
| SCHEMBL253906 | 1.00 | — | — | |
| SCHEMBL1331912 | 1.00 | — | — | |
| SCHEMBL30239 | 0.95 | — | — | |
| Water SCHEMBL11702549 | 0.95 | — | — | |
| SCHEMBL3189727 | 0.95 | — | — | |
| SCHEMBL8997560 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL169544 | 0.95 | — | — | |
| Ethylene SCHEMBL11407063 | 0.95 | — | — | |
| Hydrogen Sulfide SCHEMBL1690863 | 0.95 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0287347-B1 | METHOD FOR PREPARING EPICHLOROHYDRINS | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-03-06 | — | — | EP | claimed |
| CN-108884302-A | Heat-curing resin constituent, prepreg and their solidfied material | 日本化药株式会社 | 2018-11-23 | — | — | CN | disclosed |
| CN-108530396-A | A kind of chloro propylene epoxidation method prepares the product purification method of epoxychloropropane | 山东凯泰科技股份有限公司 | 2018-09-14 | — | — | CN | disclosed |