⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7409210 | 0.71 | SLC22A6 (0.33) | — | |
| SCHEMBL129335 | 0.70 | SLC22A6 (0.30) | — | |
| Hydrochloric Acid SCHEMBL11456432 | 0.70 | SLC22A6 (0.32) | — | |
| SCHEMBL11186479 | 0.69 | VCAM1 (0.39) | — | |
| SCHEMBL244677 | 0.66 | — | — | |
| SCHEMBL11385435 | 0.66 | — | — | |
| SCHEMBL1258912 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL536336 | 0.65 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL435282 | 0.64 | RNPEP (0.32) | — | |
| SCHEMBL2060072 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016102573-A1 | USE OF A THIOLESTER AS A HARDENER FOR EPOXIDE ADHESIVES | HENKEL AG & CO. KGAA (DE) | 2016-06-30 | — | — | WO | disclosed |