⚠ 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 | |
|---|---|---|---|---|
| Butyl Chloride SCHEMBL788825 | 0.96 | TSHR (1.00) | — | |
| Butyl Chloride SCHEMBL3694160 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL421 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL9318173 | 0.92 | TSHR (0.92) | — | |
| Pentane SCHEMBL1142366 | 0.92 | TSHR (0.92) | — | |
| Butyl Chloride SCHEMBL6002211 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL6233300 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL7480355 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL5806083 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL320717 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107531668-A | Therapeutic pyridazine compound and application thereof | 基因泰克公司 | 2018-01-02 | — | — | CN | disclosed |
| EP-1353893-A1 | PROCESS FOR THE PREPARATION OF ESTERS OF (METH)ACRYLIC ACID | Dsm N.V. (NL) | 2003-10-22 | — | — | EP | disclosed |
| WO-2002055473-A1 | PROCESS FOR THE PREPARATION OF ESTERS OF (METH)ACRYLIC ACID | DSM IP ASSETS B.V. (NL) | 2002-07-18 | — | — | WO | disclosed |