⚠ 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 | |
|---|---|---|---|---|
| Benzo[D]Thiazole SCHEMBL8430 | 1.00 | — | — | |
| Benzo[D]Thiazole SCHEMBL31388426 | 1.00 | — | — | |
| Benzo[D]Thiazole SCHEMBL451685 | 1.00 | — | — | |
| Benzo[D]Thiazole SCHEMBL900814 | 1.00 | ALDH1A1 (1.00) | — | |
| Benzo[D]Thiazole SCHEMBL8822670 | 0.97 | ALDH1A1 (0.95) | — | |
| Benzo[D]Thiazole SCHEMBL2173015 | 0.97 | ALDH1A1 (0.95) | — | |
| Benzo[D]Thiazole SCHEMBL5941446 | 0.97 | ALDH1A1 (0.95) | — | |
| Benzo[D]Thiazole SCHEMBL3856663 | 0.97 | ALDH1A1 (0.95) | — | |
| Benzo[D]Thiazole SCHEMBL21679998 | 0.97 | ALDH1A1 (0.95) | — | |
| Benzo[D]Thiazole SCHEMBL10671877 | 0.97 | ALDH1A1 (0.95) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4622178-A | CEPHALOSPORIN INTERMEDIATES | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1986-11-11 | — | — | US | claimed |
| EP-0023026-B1 | MIXTURES OF OPTICAL BRIGHTENERS AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-02-22 | — | — | EP | claimed |
| EP-0023028-B1 | MIXTURES OF OPTICAL BRIGHTENERS AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-12-15 | — | — | EP | claimed |
| EP-0023026-A1 | Mixtures of optical brighteners and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-01-28 | — | — | EP | claimed |
| EP-2984080-B1 | NOVEL TRIAZOLINTHIONE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2017-08-30 | — | — | EP | disclosed |
| US-9550752-B2 | Triazolinthione derivatives | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-01-24 | — | — | US | disclosed |
| US-20160031851-A1 | NOVEL TRIAZOLINTHIONE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-02-04 | — | — | US | disclosed |
| EP-0023026-B1 | MIXTURES OF OPTICAL BRIGHTENERS AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-02-22 | — | — | EP | disclosed |
| EP-0023028-B1 | MIXTURES OF OPTICAL BRIGHTENERS AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-12-15 | — | — | EP | disclosed |
| EP-0023026-A1 | Mixtures of optical brighteners and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-01-28 | — | — | EP | disclosed |
| EP-0023028-A1 | Mixtures of optical brighteners and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-01-28 | — | — | EP | disclosed |