⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL632010 | 0.82 | — | — | |
| SCHEMBL27383862 | 0.69 | CA12 (0.55) | — | |
| SCHEMBL8611744 | 0.68 | CYP2C9 (0.32) | — | |
| SCHEMBL83216 | 0.68 | CYP2C9 (0.32) | — | |
| SCHEMBL27852691 | 0.67 | CASP2 (0.41) | — | |
| Ethylenediamine SCHEMBL2723909 | 0.67 | — | — | |
| SCHEMBL28410829 | 0.66 | — | — | |
| SCHEMBL27848463 | 0.66 | CA12 (0.43) | — | |
| SCHEMBL11420579 | 0.66 | CYP2C9 (0.37) | — | |
| SCHEMBL6343777 | 0.65 | CYP2C9 (0.34) | — |
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-2922893-B1 | MOISTURE-CURING COMPOSITIONS, PROCESSES FOR PRODUCING SAME AND USE OF SAME | EVONIK DEGUSSA GMBH (DE) | 2016-04-06 | — | — | EP | claimed |
| EP-1304345-B1 | Aminoalkylalkoxysiloxan containing mixtures , their preparation process and their use | DEGUSSA (DE) | 2005-12-14 | — | — | EP | claimed |