⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL282682 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL781352 | 0.74 | — | — | |
| SCHEMBL779857 | 0.72 | — | — | |
| SCHEMBL9768216 | 0.71 | — | — | |
| SCHEMBL25176948 | 0.70 | — | — | |
| SCHEMBL10187489 | 0.70 | — | — | |
| SCHEMBL284064 | 0.70 | TSHR (0.57) | — | |
| SCHEMBL714500 | 0.70 | — | — | |
| SCHEMBL780877 | 0.70 | — | — | |
| SCHEMBL50875 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5068298-A | Crosslinking copolymers as absorbants and in cosmetics | CASSELLA AKTIENGESELLSCHAFT (DE) | 1991-11-26 | — | — | US | disclosed |
| US-5066745-A | Water-swellable crosslinked hydrogels, gel strength, absorption | CASSELLA AKTIENGESELLSCHAFT (DE) | 1991-11-19 | — | — | US | disclosed |
| US-5041357-A | Photoresists, printing plates | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-08-20 | — | — | US | disclosed |
| US-4977066-A | Photoresists, printing plates | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-12-11 | — | — | US | disclosed |
| US-4959441-A | CROSSLINKING AGENTS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1990-09-25 | — | — | US | disclosed |