⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL27724399 | 0.82 | TSHR (0.33) | — | |
| Alcohol SCHEMBL27603744 | 0.78 | — | — | |
| Propane SCHEMBL10639899 | 0.72 | — | — | |
| 1,3,5-Trichlorobenzene SCHEMBL5940813 | 0.71 | TSHR (0.67) | — | |
| Propane SCHEMBL10956924 | 0.71 | TSHR (0.43) | — | |
| Propane SCHEMBL9246294 | 0.71 | — | — | |
| Propane SCHEMBL1021 | 0.71 | — | — | |
| Propane SCHEMBL9248656 | 0.71 | TSHR (0.43) | — | |
| Propane SCHEMBL286506 | 0.71 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106145490-A | A kind of expoxy propane calcium chloride saponification waste-water processes method of resource | 刘风鸣 | 2016-11-23 | — | — | CN | claimed |
| CN-106145490-A | A kind of expoxy propane calcium chloride saponification waste-water processes method of resource | 刘风鸣 | 2016-11-23 | — | — | CN | disclosed |
| CN-106145490-A | A kind of expoxy propane calcium chloride saponification waste-water processes method of resource | 刘风鸣 | 2016-11-23 | — | — | CN | disclosed |
| CN-1262217-C | Perfume compositions for deodorizing tobacco, tobacco deodorizing agents and cigarette and tobacco packages with little side smoke flow odor | JAPAN TOBACCO INC (JP) | 2006-07-05 | — | — | CN | disclosed |