⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL156413 | 0.70 | TDP1 (0.31) | — | |
| SCHEMBL9157520 | 0.69 | — | — | |
| SCHEMBL4816037 | 0.69 | TDP1 (0.38) | — | |
| SCHEMBL817685 | 0.67 | TP53 (0.38) | — | |
| SCHEMBL157138 | 0.67 | — | — | |
| SCHEMBL4531566 | 0.67 | — | — | |
| Fluoride SCHEMBL8839901 | 0.66 | — | — | |
| SCHEMBL8857219 | 0.65 | TDP1 (0.31) | — | |
| SCHEMBL13143864 | 0.64 | — | — | |
| SCHEMBL18139663 | 0.64 | TDP1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0508831-B1 | Polymerizable compositions and in-mold cured products using the same | TAKEMOTO OIL & FAT CO LTD (JP) | 1996-06-19 | — | — | EP | disclosed |
| US-5185417-A | Unsaturated urethane and vinyl monomers; water resistance; improved appaearance; small mold shrinkage | TAKEMOTO YUSHI, KABUSHIKI KAISHA (JP) | 1993-02-09 | — | — | US | disclosed |
| EP-0508831-A1 | Polymerizable compositions and in-mold cured products using the same | Takemoto Yushi Kabushiki Kaisha (JP) | 1992-10-14 | — | — | EP | disclosed |