⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7253772 | 0.85 | — | — | |
| SCHEMBL7247221 | 0.77 | — | — | |
| SCHEMBL15199873 | 0.77 | CTSK (0.30) | — | |
| SCHEMBL7254295 | 0.77 | — | — | |
| SCHEMBL7253171 | 0.76 | THRB (0.32) | — | |
| SCHEMBL7249634 | 0.75 | — | — | |
| SCHEMBL7252395 | 0.74 | DNM1 (0.37) | — | |
| SCHEMBL16143006 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL4963606 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL10136491 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6602825-B1 | Cyclization of an isocyanate with a thiourea and carbonic acid | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-05 | — | — | US | disclosed |