⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL478333 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL277630 | 0.68 | — | — | |
| SCHEMBL7155205 | 0.67 | CYP2C19 (0.31) | — | |
| SCHEMBL587144 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL6573519 | 0.66 | — | — | |
| SCHEMBL7952674 | 0.66 | — | — | |
| SCHEMBL3981059 | 0.64 | — | — | |
| SCHEMBL8353755 | 0.64 | — | — | |
| SCHEMBL10087163 | 0.64 | — | — | |
| SCHEMBL10087164 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6566110-B1 | Nucleotide sequences coding polypeptide for use tool in halogenating compounds | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-20 | — | — | US | disclosed |
| US-5684200-A | MULTISTAGE PROCESS OF HYDROXYLAMINES REACTED WITH ALKYLATION AGENT WITH DESULFONATION TO FORM INTERMEDIATES FOR CROP PROTECTION AND DRUGS | BASF AKTIENGESELLSCHAFT (DE) | 1997-11-04 | — | — | US | disclosed |