⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16012697 | 1.00 | LMNA (0.45) | — | |
| SCHEMBL10668643 | 1.00 | LMNA (0.45) | — | |
| SCHEMBL27293627 | 1.00 | LMNA (0.45) | — | |
| SCHEMBL27337499 | 1.00 | — | — | |
| SCHEMBL268880 | 0.97 | — | — | |
| Nonanol SCHEMBL28172306 | 0.89 | TSHR (0.65) | — | |
| SCHEMBL33326 | 0.87 | — | — | |
| SCHEMBL9421489 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL9668013 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL7870810 | 0.83 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018170306-A1 | COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS | MODERNATX, INC. (US) | 2018-09-20 | — | — | WO | disclosed |
| CN-101779124-A | modulation of chemosensory receptors and ligands associated therewith | SENOMYX INC | 2010-07-14 | — | — | CN | disclosed |
| CN-1046166-A | Contain the preparation method that the new 19-of 11 β-carbonated chain removes the first steroidal compounds | ROUSSEL UCLAF (FR) | 1990-10-17 | — | — | CN | disclosed |
| EP-0300797-A1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1989-01-25 | — | — | EP | disclosed |