⚠ 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 SCHEMBL10720283 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL421 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL3694160 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL788825 | 0.96 | TSHR (1.00) | — | |
| Butyl Chloride SCHEMBL6002211 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL6233300 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL5806083 | 0.92 | — | — | |
| Pentane SCHEMBL1142366 | 0.92 | TSHR (0.92) | — | |
| Butyl Chloride SCHEMBL7480355 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL3840212 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104945220-B | Process for the production of fluorinated alkenes | 霍尼韦尔国际公司 | 2017-01-11 | — | — | CN | disclosed |
| CN-104945220-A | Process for the production of fluorinated alkenes | HONEYWELL INT INC | 2015-09-30 | — | — | CN | disclosed |
| EP-0634996-A1 | 1,4 NAPHTHOQUINONE DERIVTIVES WITH ANTI-PROTOZOAL AND ANTI-PARASITIC ACTIVITY | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-01-25 | — | — | EP | disclosed |
| WO-1993020044-A1 | 1,4 NAPHTHOQUINONE DERIVTIVES WITH ANTI-PROTOZOAL AND ANTI-PARASITIC ACTIVITY | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-10-14 | — | — | WO | disclosed |