⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL367051 | 0.80 | — | — | |
| SCHEMBL9445641 | 0.73 | — | — | |
| SCHEMBL26615274 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL3423760 | 0.69 | — | — | |
| Methane SCHEMBL3120405 | 0.69 | — | — | |
| SCHEMBL2468752 | 0.65 | — | — | |
| SCHEMBL1536260 | 0.65 | — | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL106115 | 0.63 | TDP1 (0.42) | — | |
| SCHEMBL2102616 | 0.63 | — | — | |
| SCHEMBL8602465 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170050904-A1 | PROCESS FOR PRODUCING C3 CHLORINATED ALKANE AND ALKENE COMPOUNDS | ARKEMA FRANCE (FR) | 2017-02-23 | — | — | US | claimed |