⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6989149 | 0.89 | — | — | |
| SCHEMBL5638953 | 0.85 | — | — | |
| SCHEMBL5638563 | 0.82 | — | — | |
| SCHEMBL5638724 | 0.80 | — | — | |
| SCHEMBL701014 | 0.74 | — | — | |
| SCHEMBL5637534 | 0.73 | TUBB4A (0.32) | — | |
| SCHEMBL5640113 | 0.72 | — | — | |
| SCHEMBL5640725 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL6995825 | 0.70 | — | — | |
| SCHEMBL6381187 | 0.70 | MEN1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1301469-A1 | PREPARATION OF 4-THIOALKYLBROMOBENZENE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-16 | — | — | EP | claimed |
| WO-2002006211-A1 | PREPARATION OF 4-THIOALKYLBROMOBENZENE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-24 | — | — | WO | claimed |