⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27342790 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL30583614 | 0.81 | TSHR (0.48) | — | |
| SCHEMBL525881 | 0.77 | — | — | |
| SCHEMBL27342791 | 0.77 | TSHR (0.40) | — | |
| SCHEMBL553911 | 0.77 | — | — | |
| SCHEMBL3629050 | 0.76 | TSHR (0.56) | — | |
| SCHEMBL149676 | 0.75 | ADRA2A (0.43) | — | |
| SCHEMBL12547083 | 0.75 | TSHR (0.60) | — | |
| Hydrochloric Acid SCHEMBL27679364 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL21224499 | 0.73 | TSHR (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5298539-A | Derivatives of melamine, acetoguanamine, benzoguanamine and glycouril groups with vinyl groups | CYTEC INDUSTRIES, INC. (US) | 1994-03-29 | — | — | US | disclosed |
| EP-0473948-A2 | Additives for improving tire cord adhesion and toughness of vulcanized rubber compositions | CYTEC TECHNOLOGY CORP. (US) | 1992-03-11 | — | — | EP | disclosed |