⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49877 | 0.93 | — | — | |
| Methylene Chloride SCHEMBL11236859 | 0.86 | — | — | |
| Dibromomethane SCHEMBL9132432 | 0.86 | — | — | |
| Fluoride SCHEMBL28330022 | 0.86 | — | — | |
| Bromide SCHEMBL27849191 | 0.86 | — | — | |
| SCHEMBL10697721 | 0.80 | — | — | |
| 1,2-Dichloroethane SCHEMBL28833633 | 0.80 | — | — | |
| Benzene SCHEMBL27432187 | 0.76 | — | — | |
| Carbon Tetrachloride SCHEMBL11791439 | 0.76 | — | — | |
| Bromodichloromethane SCHEMBL4624954 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111433206-A | Compound (I) | 葛兰素史克知识产权开发有限公司 | 2020-07-17 | — | — | CN | disclosed |