⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18406279 | 0.83 | — | — | |
| SCHEMBL14253603 | 0.83 | — | — | |
| SCHEMBL3688172 | 0.82 | — | — | |
| SCHEMBL176361 | 0.76 | — | — | |
| SCHEMBL8765422 | 0.74 | — | — | |
| SCHEMBL8832678 | 0.73 | — | — | |
| SCHEMBL8984143 | 0.73 | — | — | |
| SCHEMBL3680382 | 0.71 | — | — | |
| SCHEMBL14538989 | 0.71 | — | — | |
| SCHEMBL16326766 | 0.71 | — | — |
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-2015091692-A1 | TOPICAL PHARMACEUTICAL OR COSMETIC COMPOSITIONS COMPRISING OCTENIDINE DIHYDROCHLORIDE | ALMIRALL, S.A. (ES) | 2015-06-25 | — | — | WO | disclosed |
| US-8273842-B2 | Process for production of cyclic polyorganosiloxane, curing agent, curable composition, and cured product of the curable composition | KANEKA CORPORATION (JP) | 2012-09-25 | — | — | US | disclosed |