⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14595131 | 0.69 | CES2 (0.33) | — | |
| SCHEMBL17031879 | 0.65 | CHRNB2 (0.46) | — | |
| SCHEMBL535037 | 0.63 | MCL1 (0.42) | — | |
| SCHEMBL18727851 | 0.63 | CNR2 (0.36) | — | |
| SCHEMBL20412298 | 0.63 | TEAD1 (0.35) | — | |
| SCHEMBL535561 | 0.62 | MCL1 (0.49) | — | |
| SCHEMBL18812325 | 0.61 | CA1 (0.32) | — | |
| SCHEMBL11840114 | 0.61 | CA1 (0.33) | — | |
| SCHEMBL18929665 | 0.60 | MAPK1 (0.32) | — | |
| SCHEMBL1782840 | 0.60 | CHRNB2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7576170-B2 | Cyclic siloxane compositions for the release of active ingredients | MOMENTIVE PERFORMANCE MATERIALS (US) | 2009-08-18 | — | — | US | claimed |
| EP-2353654-B1 | Functional fragrance precursor | COLGATE PALMOLIVE CO (US) | 2015-06-17 | — | — | EP | disclosed |