⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13330238 | 0.93 | ALDH1A1 (0.31) | — | |
| SCHEMBL13804776 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL26363971 | 0.88 | — | — | |
| SCHEMBL13681833 | 0.88 | — | — | |
| SCHEMBL16917015 | 0.84 | ALDH1A1 (0.35) | — | |
| SCHEMBL9572215 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL14195384 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL15576208 | 0.82 | — | — | |
| SCHEMBL17123474 | 0.82 | HPGD (0.30) | — | |
| SCHEMBL92441 | 0.81 | — | — |
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-8680304-B1 | Polyglycerol silicone polyesters | SURFATECH CORPORATION (US) | 2014-03-25 | — | — | US | disclosed |
| US-8349912-B2 | Crosslink agents and dual radical cure polymer | BAUSCH & LOMB INCORPORATED (US) | 2013-01-08 | — | — | US | disclosed |
| US-8252850-B2 | Crosslink agents | BAUSCH & LOMB INCORPORATED (US) | 2012-08-28 | — | — | US | disclosed |
| US-8119753-B2 | Silicone hydrogels with amino surface groups | BAUSCH & LOMB INCORPORATED (US) | 2012-02-21 | — | — | US | disclosed |
| US-20120004380-A1 | Crosslink Agents and Dual Radical Cure Polymer | BAUSCH HEALTH AMERICAS, INC. | 2012-01-05 | — | — | US | disclosed |
| US-8053489-B2 | Crosslink agents and dual radical cure polymer | BAUSCH & LOMB INCORPORATED (US) | 2011-11-08 | — | — | US | disclosed |
| US-20110105779-A1 | CROSSLINK AGENTS | ORAPHARMA, INC. | 2011-05-05 | — | — | US | disclosed |
| US-7901073-B2 | Silicone hydrogel with composite hydrophilic and silicone polymers prepared with selective crosslink agents | BAUSCH & LOMB INCORPORATED (US) | 2011-03-08 | — | — | US | disclosed |
| US-7781554-B2 | Polysiloxanes and polysiloxane prepolymers with vinyl or epoxy functionality | BAUSCH & LOMB INCORPORATED (US) | 2010-08-24 | — | — | US | disclosed |
| US-20090227804-A1 | POLYSILOXANES AND POLYSILOXANE PREPOLYMERS WITH VINYL OR EPOXY FUNCTIONALITY | PRECISION DERMATOLOGY, INC. | 2009-09-10 | — | — | US | disclosed |
| US-20090103045-A1 | SILICONE HYDROGELS WITH AMINO SURFACE GROUPS | SALIX PHARMACEUTICALS, INC. | 2009-04-23 | — | — | US | disclosed |
| US-20090023876-A1 | Crosslink Agents and Dual Radical Cure Polymer | MEDICIS PHARMACEUTICAL CORPORATION | 2009-01-22 | — | — | US | disclosed |
| US-20090018233-A1 | Crosslink Agents and Dual Radical Cure Polymer | SOLTA MEDICAL, INC. | 2009-01-15 | — | — | US | disclosed |