⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL458979 | 0.91 | — | — | |
| SCHEMBL10436046 | 0.85 | — | — | |
| SCHEMBL192102 | 0.81 | — | — | |
| SCHEMBL332095 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL10539359 | 0.71 | SLC6A2 (0.31) | — | |
| SCHEMBL4238594 | 0.71 | LTA4H (0.31) | — | |
| SCHEMBL5477781 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL43902 | 0.71 | CALM1 (0.31) | — | |
| SCHEMBL3320852 | 0.70 | HTR6 (0.36) | — | |
| SCHEMBL330975 | 0.70 | MAOA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957551-A2 | PRODUCTION OF A CROSSLINKER DISPERSION COMPRISING BLOCKED ISOCYANATE GROUPS | Bayer MaterialScience AG (DE) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007062760-A2 | PRODUCTION OF A CROSSLINKER DISPERSION COMPRISING BLOCKED ISOCYANATE GROUPS | BAYER MATERIALSCIENCE AG (DE) | 2007-06-07 | — | — | WO | disclosed |