⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL666807 | 0.64 | — | — | |
| Bromide SCHEMBL29067113 | 0.61 | — | — | |
| SCHEMBL9309322 | 0.61 | — | — | |
| SCHEMBL8946855 | 0.58 | — | — | |
| SCHEMBL12542874 | 0.48 | — | — | |
| Water SCHEMBL490048 | 0.41 | — | — | |
| SCHEMBL11862338 | 0.35 | — | — | |
| SCHEMBL29664 | 0.33 | — | — | |
| SCHEMBL93744 | 0.33 | — | — | |
| SCHEMBL3930260 | 0.33 | — | — |
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-0851881-A1 | DISPERSIONS CONTAINING POLYURETHANES WITH CARBONYL GROUPS IN THE KETO FUNCTION | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-08 | — | — | EP | disclosed |
| WO-1997011103-A1 | DISPERSIONS CONTAINING POLYURETHANES WITH CARBONYL GROUPS IN THE KETO FUNCTION | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-27 | — | — | WO | disclosed |