⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26073742 | 0.73 | CA1 (0.31) | — | |
| SCHEMBL7679667 | 0.72 | — | — | |
| SCHEMBL29300078 | 0.68 | — | — | |
| SCHEMBL26036458 | 0.66 | — | — | |
| SCHEMBL16307609 | 0.60 | KDM4E (0.33) | — | |
| SCHEMBL23250812 | 0.59 | BTN3A1 (0.32) | — | |
| SCHEMBL9643753 | 0.59 | — | — | |
| SCHEMBL14585732 | 0.59 | CA1 (0.34) | — | |
| SCHEMBL27098030 | 0.58 | CA1 (0.33) | — | |
| SCHEMBL13681739 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130084352-A1 | MOLD HAVING RELEASE LAYER FOR IMPRINTING, METHOD FOR PRODUCING MOLD HAVING RELEASE LAYER FOR IMPRINTING, AND METHOD FOR PRODUCING COPY MOLD | HOYA CORPORATION (JP) | 2013-04-04 | — | — | US | disclosed |