⚠ 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 | |
|---|---|---|---|---|
| Benzenethiol SCHEMBL490106 | 0.92 | ALDH1A1 (0.43) | — | |
| SCHEMBL22047568 | 0.92 | ALDH1A1 (0.43) | — | |
| Benzenethiol SCHEMBL28862443 | 0.92 | ALDH1A1 (0.43) | — | |
| Benzenethiol SCHEMBL2574156 | 0.92 | ALDH1A1 (0.43) | — | |
| Benzenethiol SCHEMBL10796991 | 0.92 | ALDH1A1 (0.43) | — | |
| Benzenethiol SCHEMBL67 | 0.92 | — | — | |
| Benzenethiol SCHEMBL15809974 | 0.92 | — | — | |
| Benzenethiol SCHEMBL22802141 | 0.88 | — | — | |
| Benzenethiol SCHEMBL10719483 | 0.88 | — | — | |
| Benzenethiol SCHEMBL20523592 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004050830-A2 | METHODS FOR COVALENTLY ATTACHING PROTEINS TO SUBSTRATES | SCIENCE AND TECHNOLOGY CORPORATION @ UNIVERSITY OF NEW MEXICO (US) | 2004-06-17 | — | — | WO | claimed |
| US-4370397-A | Presensitized plastic card, tamperproof identification card prepared therefrom, and process for manufacture of tamperproof identification card | RHONE-POULENC SYSTEMES (FR) | 1983-01-25 | — | — | US | disclosed |
| US-4273850-A | 2,5-DIALKOXY-4-ARYLMERCAPTOBENZENE DIAZONIUM SALTS AND A HYDROXYNAPHTHALENE DISULFONAMIDE COUPLER | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-06-16 | — | — | US | disclosed |