⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5310628 | 0.97 | — | — | |
| SCHEMBL2049633 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL4572764 | 0.80 | — | — | |
| SCHEMBL14409329 | 0.79 | — | — | |
| SCHEMBL27337879 | 0.79 | — | — | |
| SCHEMBL7749465 | 0.78 | DNM1 (0.37) | — | |
| SCHEMBL10075687 | 0.77 | — | — | |
| SCHEMBL25671145 | 0.77 | — | — | |
| SCHEMBL825641 | 0.75 | — | — | |
| SCHEMBL14681007 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090202837-A1 | Moisture-Curing Polyurethane Composition with Good Low-Temperature Performance | SIKA TECHNOLOGY AG (CH) | 2009-08-13 | — | — | US | disclosed |
| WO-2008046841-A1 | METHOD FOR THE PRODUCTION OF SUPERABSORBERS | BASF SE (DE) | 2008-04-24 | — | — | WO | disclosed |