⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1702218 | 0.82 | CYP4F2 (0.34) | — | |
| SCHEMBL8516870 | 0.80 | — | — | |
| SCHEMBL27926689 | 0.80 | — | — | |
| SCHEMBL31544650 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL7153764 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL28789538 | 0.79 | TRPA1 (0.32) | — | |
| SCHEMBL5586390 | 0.78 | — | — | |
| SCHEMBL15373133 | 0.78 | — | — | |
| SCHEMBL28727003 | 0.77 | TDP1 (0.35) | — | |
| SCHEMBL703096 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0770110-B1 | WATER-BASED INK COMPOSITION FOR BALL-POINT PEN | NAT INK INC (US) | 2003-02-19 | — | — | EP | disclosed |
| CN-1082987-C | Water-based ink composition for ball-point pen | NAT INK INC (US) | 2002-04-17 | — | — | CN | disclosed |
| EP-0770110-A4 | WATER-BASED INK COMPOSITION FOR BALL-POINT PEN | NAT INK INC (US) | 1998-12-09 | — | — | EP | disclosed |
| CN-1169746-A | Water-based ink composition for ball-point pen | NAT INK INC (US) | 1998-01-07 | — | — | CN | disclosed |
| EP-0770110-A1 | WATER-BASED INK COMPOSITION FOR BALL-POINT PEN | NATIONAL INK INCORPORATED (US) | 1997-05-02 | — | — | EP | disclosed |
| WO-1996001879-A1 | WATER-BASED INK COMPOSITION FOR BALL-POINT PEN | NATIONAL INK INCORPORATED (US) | 1996-01-25 | — | — | WO | disclosed |
| US-5466281-A | Water-based ink composition for ball-point pen | NATIONAL INK INCORPORATED (US) | 1995-11-14 | — | — | US | disclosed |
| US-5048992-A | Water soluble polymer shear thinning material | THE GILLETTE COMPANY (US) | 1991-09-17 | — | — | US | disclosed |
| US-5013361-A | Ball-point writing instrument containing an aqueous ink composition | THE GILLETTE COMPANY (US) | 1991-05-07 | — | — | US | disclosed |
| US-4971628-A | COLORANT, POLAR SOLVENT SYSTEM INCLUDING WATER, POLYMER SHEAR-THINNING MATERIAL, AND POLYMERIC FILM-FORMING SHOCK-RESISTANT MATERIAL | THE GILLETTE COMPANY (US) | 1990-11-20 | — | — | US | disclosed |
| US-4786198-A | UNIFORM DISPERSION OF COLORANTS; POLYMER, BINDER, IN POLAR SOLVENT; WATER-FAST RESIDUE | THE GILLETTE COMPANY (US) | 1988-11-22 | — | — | US | disclosed |
| US-4686246-A | Shock resistant ink compositions and writing instruments including the compositions | THE GILLETTE COMPANY (US) | 1987-08-11 | — | — | US | disclosed |
| US-4671691-A | VISCOELASTIC INK FOLLOWER | THE GILLETTE COMPANY (US) | 1987-06-09 | — | — | US | disclosed |