⚠ 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 SCHEMBL114993 | 1.00 | — | — | |
| Butyl Chloride SCHEMBL421 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL3694160 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL788825 | 0.96 | TSHR (1.00) | — | |
| Butyl Chloride SCHEMBL5806083 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL9161978 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL6233300 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL7190937 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL6002211 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL5872412 | 0.92 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| EP-0789700-B1 | IMPROVED PROCESS FOR MAKING A D-(+)-BIOTINE INTERMEDIATE PRODUCT | MERCK PATENT GMBH (DE) | 2002-01-16 | — | — | EP | claimed |
| US-5847152-A | Preparation of a D-(+)-biotin intermediate | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-12-08 | — | — | US | claimed |
| US-5847152-A | Preparation of a D-(+)-biotin intermediate | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-12-08 | — | — | US | disclosed |