⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6326047 | 0.82 | — | — | |
| SCHEMBL1278997 | 0.81 | — | — | |
| SCHEMBL9487606 | 0.80 | — | — | |
| Hydroxyl Radical SCHEMBL28352812 | 0.79 | — | — | |
| SCHEMBL11333272 | 0.76 | — | — | |
| SCHEMBL27746107 | 0.73 | — | — | |
| SCHEMBL8857147 | 0.72 | — | — | |
| SCHEMBL9616889 | 0.71 | TGFBR1 (0.32) | — | |
| Methacrylic Acid SCHEMBL29217399 | 0.71 | TDP1 (0.32) | — | |
| SCHEMBL28790957 | 0.70 | THRB (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0523723-B1 | Resin composition | MITSUI TOATSU CHEMICALS (JP) | 1997-11-05 | — | — | EP | disclosed |
| US-5633317-A | Isocyanate resin compositions and hot melt and pressure sensitive adhesives based thereon | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-05-27 | — | — | US | disclosed |
| US-5418288-A | Acrylic graft polymers with isocyanate group | MITSUI TOATSU CHEMICALS, INC. (JP) | 1995-05-23 | — | — | US | disclosed |
| EP-0523723-A1 | Resin composition | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-01-20 | — | — | EP | disclosed |