⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29905540 | 0.90 | — | — | |
| SCHEMBL5377836 | 0.85 | — | — | |
| SCHEMBL11552775 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL4062953 | 0.84 | OPRD1 (0.34) | — | |
| SCHEMBL232544 | 0.83 | — | — | |
| SCHEMBL19920792 | 0.75 | SLC6A2 (0.31) | — | |
| SCHEMBL1856620 | 0.74 | — | — | |
| Carbamic Acid SCHEMBL29017604 | 0.71 | TDP1 (0.31) | — | |
| SCHEMBL9106715 | 0.71 | SHBG (0.31) | — | |
| SCHEMBL5910756 | 0.70 | SLC6A3 (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 |
|---|---|---|---|---|---|---|---|
| CN-101160210-B | Rigid polyurethane-isocyanurate reinforced foams | DOW GLOBAL TECHNOLOGIES INC | 2010-09-22 | — | — | CN | disclosed |
| CN-101160210-A | Rigid polyurethane-isocyanurate reinforced foams | DOW GLOBAL TECHNOLOGIES INC (US) | 2008-04-09 | — | — | CN | disclosed |