⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14894 | 0.77 | PTGS1 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL1302015 | 0.76 | PTGS1 (0.36) | — | |
| SCHEMBL973803 | 0.74 | APP (0.37) | — | |
| SCHEMBL7770974 | 0.73 | CES2 (0.37) | — | |
| SCHEMBL608739 | 0.73 | — | — | |
| SCHEMBL595425 | 0.73 | CA5A (0.36) | — | |
| SCHEMBL22137 | 0.71 | HPGD (0.30) | — | |
| SCHEMBL300353 | 0.70 | — | — | |
| SCHEMBL2782961 | 0.69 | — | — | |
| SCHEMBL6049673 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9775786-B2 | Dental adhesive | DENTSPLY INT INC (US) | 2017-10-03 | — | — | US | disclosed |
| US-20150335535-A1 | DENTAL ADHESIVE | DENTSPLY INT INC (US) | 2015-11-26 | — | — | US | disclosed |
| US-8198388-B2 | One-part self-etching, self-priming dental adhesive composition | DENTSPLY INTERNATIONAL INC. (US) | 2012-06-12 | — | — | US | disclosed |
| US-20090043008-A1 | Dental adhesive | KLEE JOACHIM E | 2009-02-12 | — | — | US | disclosed |
| US-20070293642-A1 | One-Part Self-Etching, Self-Priming Dental Adhesive Composition | DENTSPLY DE TREY GMBH (DE) | 2007-12-20 | — | — | US | disclosed |