⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5850499 | 0.77 | — | — | |
| SCHEMBL11016486 | 0.77 | — | — | |
| SCHEMBL50875 | 0.77 | — | — | |
| SCHEMBL284064 | 0.76 | TSHR (0.57) | — | |
| SCHEMBL283986 | 0.76 | TSHR (0.57) | — | |
| SCHEMBL38664117 | 0.75 | TP53 (0.63) | — | |
| Water SCHEMBL28325578 | 0.75 | TP53 (0.63) | — | |
| Ammonia Solution, Strong SCHEMBL28072509 | 0.75 | TP53 (0.63) | — | |
| SCHEMBL27765422 | 0.74 | — | — | |
| SCHEMBL1072703 | 0.73 | TSHR (0.61) | — |
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 |