⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1444906 | 0.74 | — | — | |
| SCHEMBL115483 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL969630 | 0.69 | — | — | |
| SCHEMBL300633 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL11508639 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28532975 | 0.65 | ALDH1A1 (0.30) | — | |
| Tert-Butylamine SCHEMBL28576928 | 0.64 | — | — | |
| SCHEMBL10580135 | 0.63 | TSHR (0.30) | — | |
| SCHEMBL2418854 | 0.63 | ALOX5 (0.36) | — | |
| SCHEMBL3644046 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1092737-B1 | Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin | TOSOH CORP (JP) | 2003-09-24 | — | — | EP | claimed |