⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8487842 | 0.68 | CA1 (0.32) | — | |
| SCHEMBL22174146 | 0.65 | HTR2A (0.44) | — | |
| SCHEMBL13677131 | 0.64 | — | — | |
| SCHEMBL6289130 | 0.62 | — | — | |
| SCHEMBL16901686 | 0.62 | — | — | |
| SCHEMBL3630449 | 0.62 | — | — | |
| SCHEMBL8661024 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL13285354 | 0.61 | NQO1 (0.30) | — | |
| SCHEMBL27374067 | 0.60 | ALDH1A1 (0.35) | — | |
| SCHEMBL18290453 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-11024296-A | — | — | None | — | — | JP | disclosed |
| WO-2020134138-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND, PREPARATION METHOD THEREFOR AND ORGANIC ELECTROLUMINESCENT DEVICE | 吉林奥来德光电材料股份有限公司 | 2020-07-02 | — | — | WO | disclosed |
| EP-3219709-A1 | INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-20 | — | — | EP | disclosed |
| US-20130005710-A1 | AMINOPYRIDINE DERIVATIVE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-01-03 | — | — | US | disclosed |
| WO-2012138670-A1 | PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR | GILEAD SCIENCES, INC. (US) | 2012-10-11 | — | — | WO | disclosed |
| EP-2502909-A1 | AMINOPYRIDINE DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2012-09-26 | — | — | EP | disclosed |
| JP-H1124296-A | ELECTROPHOTOGRAPHIC PHOTORECEPTOR | DAINIPPON INK & CHEM INC | 1999-01-29 | — | — | JP | disclosed |
| EP-0403934-B1 | Infrared absorbing oxonol dyes for dye-donor element used in laser-induced thermal dye transfer | EASTMAN KODAK CO (US) | 1993-10-27 | — | — | EP | disclosed |
| US-5035977-A | DIFFERENT FROM DYE IN DYE LAYER; PRINTS FROM PICTURES ELECTRONICALLY GENERATED FROM COLOR VIDEO; HIGH DENSITY | EASTMAN KODAK COMPANY (US) | 1991-07-30 | — | — | US | disclosed |
| EP-0403934-A1 | Infrared absorbing oxonol dyes for dye-donor element used in laser-induced thermal dye transfer | EASTMAN KODAK COMPANY (US) | 1990-12-27 | — | — | EP | disclosed |