⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9733615 | 0.89 | TSHR (0.39) | — | |
| SCHEMBL9407540 | 0.85 | CA12 (0.50) | — | |
| SCHEMBL10045182 | 0.83 | TSHR (0.40) | — | |
| SCHEMBL13100404 | 0.80 | — | — | |
| SCHEMBL11089087 | 0.80 | — | — | |
| SCHEMBL188072 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL4917007 | 0.78 | — | — | |
| SCHEMBL7321740 | 0.78 | — | — | |
| SCHEMBL9037647 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL13960766 | 0.76 | CA12 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1209180-B1 | Method for preparing water-based urethane resin composition | DAINIPPON INK & CHEMICALS (JP) | 2012-03-21 | — | — | EP | disclosed |
| US-20090181948-A1 | DIAMINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2009-07-16 | — | — | US | disclosed |
| US-6555614-B2 | Printing inks | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2003-04-29 | — | — | US | disclosed |
| US-20020111424-A1 | Method for preparing water-based urethane resin composition | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-08-15 | — | — | US | disclosed |
| EP-1209180-A1 | Method for preparing water-based urethane resin composition | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-05-29 | — | — | EP | disclosed |