⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8370070 | 0.81 | — | — | |
| SCHEMBL286847 | 0.77 | — | — | |
| SCHEMBL9064747 | 0.77 | — | — | |
| SCHEMBL10089210 | 0.77 | SLC6A4 (0.33) | — | |
| SCHEMBL4337964 | 0.77 | SLC6A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3788037 | 0.74 | — | — | |
| SCHEMBL387219 | 0.73 | — | — | |
| SCHEMBL28224889 | 0.72 | — | — | |
| SCHEMBL4988511 | 0.72 | — | — | |
| Bicarbonate SCHEMBL10668252 | 0.71 | FFAR3 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016096928-A1 | USE OF A COMBINATION OF AN ASSOCIATIVE NONIONIC POLYETHER POLYURETHANE AND A CYCLOHEXANOL DERIVATIVE AS A SKIN REFRESHING AGENT | L'OREAL (FR) | 2016-06-23 | — | — | WO | disclosed |
| EP-1250940-B1 | An absorbent article comprising an agent able to convey a perception to the wearer | PROCTER & GAMBLE (US) | 2010-01-06 | — | — | EP | disclosed |