⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10647135 | 0.98 | — | — | |
| SCHEMBL9326396 | 0.76 | — | — | |
| SCHEMBL8704471 | 0.76 | GABBR2 (0.31) | — | |
| SCHEMBL9326455 | 0.76 | — | — | |
| SCHEMBL9329907 | 0.76 | GABRR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL10652802 | 0.74 | GABRR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL10652070 | 0.74 | — | — | |
| SCHEMBL9327635 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL10649637 | 0.74 | — | — | |
| SCHEMBL8702745 | 0.72 | ALDH1A1 (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0377166-B1 | Water-soluble, fibre-reactive dyes, methods for their preparation and their use | HOECHST AG (DE) | 1994-03-02 | — | — | EP | disclosed |
| US-5138041-A | Water-soluble fiber-reactive monoazo and disazo dyestuffs having a s-triazinylamino group and three fiber-reactive groups of the vinylsulfone series | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-08-11 | — | — | US | disclosed |
| US-4963659-A | DYEING CELLULOSE, PRINTING TEXTILES | CIBA-GEIGY CORPORATION (US) | 1990-10-16 | — | — | US | disclosed |
| EP-0377166-A1 | Water-soluble, fibre-reactive dyes, methods for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-07-11 | — | — | EP | disclosed |
| US-4925928-A | Reactive dyes containing vinylsulfonylalkylamino bound to a bis-(triazinylamino)-benzene group | CIBA-GEIGY CORPORATION (US) | 1990-05-15 | — | — | US | disclosed |
| US-4925927-A | COTTON | CIBA-GEIGY CORPORATION (US) | 1990-05-15 | — | — | US | disclosed |