⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2291923 | 1.00 | — | — | |
| SCHEMBL28780334 | 0.97 | — | — | |
| SCHEMBL23425027 | 0.83 | — | — | |
| SCHEMBL9718171 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL9718173 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL23709234 | 0.74 | — | — | |
| SCHEMBL24406264 | 0.70 | — | — | |
| SCHEMBL22301292 | 0.70 | — | — | |
| SCHEMBL25085479 | 0.70 | — | — | |
| SCHEMBL22215335 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190248821-A1 | PROCESS FOR THE GENERATION OF THIN INORGANIC FILMS | BASF SE (DE) | 2019-08-15 | — | — | US | disclosed |
| US-8003838-B2 | 1,4-hydrogenation of dienes with Ru complexes | FIRMENICH SA (CH) | 2011-08-23 | — | — | US | disclosed |
| US-20100099904-A1 | 1,4-HYDROGENATION OF DIENES WITH RU COMPLEXES | FIRMENICH SA | 2010-04-22 | — | — | US | disclosed |