⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3356698 | 0.89 | ALDH1A1 (0.34) | — | |
| SCHEMBL157690 | 0.89 | ALDH1A1 (0.34) | — | |
| SCHEMBL1011667 | 0.84 | HCAR2 (0.31) | — | |
| Phosphoric Acid SCHEMBL2703749 | 0.84 | — | — | |
| SCHEMBL9863317 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL157683 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL1746346 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL5148476 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL4243901 | 0.75 | — | — | |
| SCHEMBL16105807 | 0.74 | ABCC4 (0.33) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5367002-A | Polyalkenoic acid, elutable glass filler | DENTSPLY RESEARCH & DEVELOPMENT CORP. (US) | 1994-11-22 | — | — | US | claimed |
| JP-5255033-A | — | — | None | — | — | JP | disclosed |
| US-9079828-B2 | Polymerizable compounds comprising a polyalicylic structure element | VOCO GMBH (DE) | 2015-07-14 | — | — | US | disclosed |
| US-8697772-B2 | Polymerizable phosphoric acid derivatives comprising a polyalicylic structure element | VOCO GMBH (DE) | 2014-04-15 | — | — | US | disclosed |
| US-20120115108-A1 | POLYMERIZABLE PHOSPHORIC ACID DERIVATIVES COMPRISING A POLYALICYLIC STRUCTURE ELEMENT | VOCO GMBH (DE) | 2012-05-10 | — | — | US | disclosed |
| US-20120082959-A1 | Polymerizable Compounds Comprising a Polyalicylic Structure Element | VOCO GMBH (DE) | 2012-04-05 | — | — | US | disclosed |
| EP-1176937-B1 | SELF-ADHESIVE POLYMERIZABLE MONOMER AND DENTAL/MEDICAL COMPOSITIONS THEREFROM | DENTSPLY INT INC (US) | 2005-01-12 | — | — | EP | disclosed |
| US-6387982-B1 | PHOTOPOLYMERIZATION | DENTSPLY DETREY G.M.B.H. (DE) | 2002-05-14 | — | — | US | disclosed |
| EP-1133272-A1 | SELF ETCHING ADHESIVE PRIMER COMPOSITION AND POLYMERIZABLE SURFACTANTS | Dentsply International, Inc. (US) | 2001-09-19 | — | — | EP | disclosed |
| US-6187838-B1 | KIT FOR TEETH MAINTENANCE | AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION | 2001-02-13 | — | — | US | disclosed |
| WO-2000030591-A1 | SELF ETCHING ADHESIVE PRIMER COMPOSITION AND POLYMERIZABLE SURFACTANTS | DENTSPLY INTERNATIONAL INC. (US) | 2000-06-02 | — | — | WO | disclosed |
| US-6001897-A | ENAMEL COATING FOR TEETH | AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) | 1999-12-14 | — | — | US | disclosed |
| JP-H05255033-A | DENTAL COMPOSITION AND METHOD | DENTSPLY INTERNATL INC | 1993-10-05 | — | — | JP | disclosed |