⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4487168 | 0.79 | — | — | |
| SCHEMBL17262087 | 0.74 | CA1 (0.30) | — | |
| SCHEMBL27605044 | 0.74 | ADRB2 (0.38) | — | |
| SCHEMBL19569141 | 0.73 | — | — | |
| SCHEMBL27687859 | 0.73 | — | — | |
| SCHEMBL25094901 | 0.73 | — | — | |
| SCHEMBL11235275 | 0.73 | CA1 (0.32) | — | |
| SCHEMBL27523351 | 0.73 | — | — | |
| Water SCHEMBL2852321 | 0.71 | — | — | |
| SCHEMBL28196338 | 0.71 | — | — |
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-2308908-B1 | Aqueous dispersion of a heat hardened polyurethane composition | JANSEN BERNHARD (DE) | 2014-06-25 | — | — | EP | disclosed |
| EP-2308908-A1 | Aqueous dispersion of a heat hardened polyurethane composition | Jansen, Bernhard (DE) | 2011-04-13 | — | — | EP | disclosed |