⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3878804 | 0.72 | ESR1 (0.30) | — | |
| SCHEMBL7210267 | 0.71 | — | — | |
| SCHEMBL179790 | 0.69 | — | — | |
| SCHEMBL1549296 | 0.69 | CA4 (0.31) | — | |
| SCHEMBL9578501 | 0.69 | — | — | |
| SCHEMBL7120907 | 0.68 | — | — | |
| SCHEMBL25965364 | 0.68 | — | — | |
| SCHEMBL18833605 | 0.67 | MAPT (0.30) | — | |
| SCHEMBL10801938 | 0.67 | MAPT (0.30) | — | |
| SCHEMBL10937377 | 0.67 | MAPT (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0021859-B1 | POLYSILOXANE COMPOSITIONS CURABLE INTO ELASTOMERS AT AMBIENT TEMPERATURE IN THE PRESENCE OF WATER | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1983-01-19 | — | — | EP | disclosed |