⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9634428 | 0.75 | — | — | |
| SCHEMBL15963 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL2215339 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL28170047 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL3977846 | 0.73 | ALDH1A1 (0.52) | — | |
| Hno SCHEMBL31285381 | 0.73 | — | — | |
| SCHEMBL1849 | 0.71 | — | — | |
| SCHEMBL179937 | 0.71 | — | — | |
| SCHEMBL8953021 | 0.71 | ALDH1A1 (0.58) | — | |
| Hydrochloric Acid SCHEMBL17099626 | 0.71 | ALDH1A1 (0.58) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090258966-A1 | Dental Composition | NIHON UNIVERSITY (JP) | 2009-10-15 | — | — | US | disclosed |
| EP-1019416-B1 | LOW WATER POLYMERIC SILICONE COMPOSITIONS HAVING REDUCED MODULUS | BAUSCH & LOMB (US) | 2003-01-22 | — | — | EP | disclosed |
| EP-0865444-B1 | MONOMERIC UNITS USEFUL FOR REDUCING THE MODULUS OF SILICONE HYDROGELS | BAUSCH & LOMB (US) | 2001-09-19 | — | — | EP | disclosed |
| EP-1019416-A1 | MONOMERIC UNITS USEFUL FOR REDUCING THE MODULUS OF LOW WATER POLYMERIC SILICONE COMPOSITIONS | BAUSCH & LOMB INCORPORATED (US) | 2000-07-19 | — | — | EP | disclosed |
| US-5908906-A | ESPECIALLY POLYMERS FROM 1-(3-METHACRYLOYLOXYPROPYL)-3-(1,1H-PERFLUOROPENTYLOXY)PROPYL) TETRAMETHYLDISILOXANE, CONTACT LENSES | BAUSCH & LOMB INCORPORATED (US) | 1999-06-01 | — | — | US | disclosed |
| EP-0865444-A1 | MONOMERIC UNITS USEFUL FOR REDUCING THE MODULUS OF SILICONE HYDROGELS | BAUSCH & LOMB INCORPORATED (US) | 1998-09-23 | — | — | EP | disclosed |
| US-5714557-A | UNSATURATED FLUORINATED ACRYLIC ESTER- OR AMIDE-CAPPED POLYSILOXANES AND DISILOXANES; CONTACT LENSES; FILMS; YOUNG'S MODULUS OF ELASTICIY; NONHYDROLYZING; MEDICAL EQUIPMENT | BAUSCH & LOMB INCORPORATED (US) | 1998-02-03 | — | — | US | disclosed |
| US-5710302-A | Monomeric units useful for reducing the modules of silicone hydrogels | BAUSCH & LOMB INCORPORATED (US) | 1998-01-20 | — | — | US | disclosed |
| WO-1997020852-A1 | MONOMERIC UNITS USEFUL FOR REDUCING THE MODULUS OF SILICONE HYDROGELS | BAUSCH & LOMB INCORPORATED (US) | 1997-06-12 | — | — | WO | disclosed |
| WO-1997020851-A1 | MONOMERIC UNITS USEFUL FOR REDUCING THE MODULUS OF LOW WATER POLYMERIC SILICONE COMPOSITIONS | BAUSCH & LOMB INCORPORATED (US) | 1997-06-12 | — | — | WO | disclosed |