⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16684619 | 0.75 | CYP2A13 (0.39) | — | |
| SCHEMBL5016152 | 0.72 | HSPA5 (0.39) | — | |
| SCHEMBL22361111 | 0.72 | IDO1 (0.33) | — | |
| SCHEMBL8837414 | 0.72 | CYP2A13 (0.39) | — | |
| SCHEMBL16684672 | 0.71 | AR (0.31) | — | |
| SCHEMBL22361110 | 0.70 | GABRA1 (0.31) | — | |
| SCHEMBL9706886 | 0.70 | — | — | |
| SCHEMBL8184594 | 0.70 | — | — | |
| SCHEMBL2727954 | 0.70 | SLC6A4 (0.33) | — | |
| SCHEMBL11766468 | 0.69 | IDO1 (0.39) | — |
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-2840087-B1 | USE OF COMPOUNDS CONTAINING SEMI-ORGANIC SILICON GROUPS WITH GUANIDINE GROUPS FOR CURING OF COMPOUNDS CONTAINING ALKOXYSILYL GROUPS | EVONIK DEGUSSA GMBH (DE) | 2019-04-10 | — | — | EP | disclosed |
| EP-2840087-A1 | Compounds containing semi-organic silicon groups with guanidine groups | Evonik Degussa GmbH (DE) | 2015-02-25 | — | — | EP | disclosed |