⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10778952 | 0.88 | GAA (0.30) | — | |
| SCHEMBL10987478 | 0.86 | — | — | |
| SCHEMBL11543220 | 0.85 | CHRM2 (0.31) | — | |
| SCHEMBL2252788 | 0.85 | — | — | |
| SCHEMBL20448607 | 0.81 | GAA (0.32) | — | |
| SCHEMBL20448738 | 0.79 | GAA (0.31) | — | |
| SCHEMBL248382 | 0.78 | CHRM2 (0.38) | — | |
| SCHEMBL11054051 | 0.77 | ALOX15 (0.31) | — | |
| SCHEMBL5646124 | 0.76 | GAA (0.33) | — | |
| SCHEMBL8642603 | 0.76 | GAA (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 |
|---|---|---|---|---|---|---|---|
| EP-0321658-B1 | PROCESS FOR THE PREPARATION OF BLOCKED POLYISOCYANATES CONTAINING UREA GROUPS, AND PRODUCTS PREPARED THEREFROM | HÜLS AKTIENGESELLSCHAFT (DE) | 1993-06-16 | — | — | EP | disclosed |
| US-4925974-A | REACTING PARTIALLY BLOCKED POLYISOCYANATE WITH POLYAMINE; ISOLATING | HUELS AKTIENGESELLSCHAFT (DE) | 1990-05-15 | — | — | US | disclosed |
| US-4145512-A | Permanently stabilized polyurethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1979-03-20 | — | — | US | disclosed |