⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL444997 | 0.81 | — | — | |
| SCHEMBL9536307 | 0.79 | — | — | |
| SCHEMBL190035 | 0.77 | — | — | |
| SCHEMBL28109491 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL28105811 | 0.76 | — | — | |
| SCHEMBL2702290 | 0.72 | — | — | |
| SCHEMBL10982154 | 0.71 | — | — | |
| SCHEMBL29249282 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL28570007 | 0.70 | ACACB (0.31) | — | |
| SCHEMBL5200927 | 0.70 | CAD (0.38) | — |
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-0549626-A1 | MOISTURE-SETTING ALKOXYSILANE-TERMINATED POLYURETHANES. | HENKEL KGAA (DE) | 1993-07-07 | — | — | EP | disclosed |
| WO-1992005212-A1 | MOISTURE-SETTING ALKOXYSILANE-TERMINATED POLYURETHANES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1992-04-02 | — | — | WO | disclosed |