⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10822991 | 1.00 | TSHR (0.32) | — | |
| SCHEMBL7109827 | 1.00 | TSHR (0.32) | — | |
| SCHEMBL29952 | 1.00 | — | — | |
| Water SCHEMBL27968759 | 0.97 | — | — | |
| Sulfuric Acid SCHEMBL28219698 | 0.97 | CA5A (0.35) | — | |
| SCHEMBL13610 | 0.97 | — | — | |
| SCHEMBL5231994 | 0.94 | — | — | |
| SCHEMBL461367 | 0.94 | — | — | |
| SCHEMBL2868065 | 0.94 | — | — | |
| Formaldehyde SCHEMBL5303037 | 0.94 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6136918-A | (METH)ACRYLIC ACID, CROTONIC AND/OR ITACONIC ACID AND ALKYL (METH)ACRYLATE MONOMERS; IMPACT STRENGTH | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-0870799-A1 | RUBBER LATEX, GRAFT COPOLYMER, AND THERMOPLASTIC RESIN COMPOSITION | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1998-10-14 | — | — | EP | disclosed |