⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24773119 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL7849355 | 0.79 | SLC6A4 (0.37) | — | |
| SCHEMBL20988016 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL465383 | 0.67 | HDAC7 (0.31) | — | |
| SCHEMBL5949002 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL3361400 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL9930065 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL6544044 | 0.65 | — | — | |
| SCHEMBL18684969 | 0.65 | LMNA (0.41) | — | |
| Hydrochloric Acid SCHEMBL30591305 | 0.64 | TSHR (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020055602-A1 | Aromatic polyisocyanates blocked by pyrazole or pyrazole derivatives and the preparation and use thereof | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-09 | — | — | US | disclosed |
| EP-1184400-A1 | Aromatic polyisocyanates blocked with pyrazole or pyrazole derivatives, process for their preparation and their use | BAYER AG (DE) | 2002-03-06 | — | — | EP | disclosed |
| US-5166232-A | CELLULOSE/PLASTIC BLENDS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE | WOLFF WALSRODE AKTIENGESELLSCHAFT (DE) | 1992-11-24 | — | — | US | disclosed |