⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6964960 | 0.81 | — | — | |
| SCHEMBL95729 | 0.81 | — | — | |
| SCHEMBL27729555 | 0.79 | HDAC4 (0.32) | — | |
| SCHEMBL27780437 | 0.78 | TRPA1 (0.30) | — | |
| SCHEMBL9581136 | 0.77 | — | — | |
| SCHEMBL1071254 | 0.77 | TAAR1 (0.30) | — | |
| SCHEMBL2577858 | 0.77 | — | — | |
| SCHEMBL3834885 | 0.77 | — | — | |
| SCHEMBL3606073 | 0.77 | — | — | |
| SCHEMBL3611373 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020235442-A1 | GRAFT COPOLYMER AND METHOD FOR PRODUCING SAME, AND PRECURSOR FOR GRAFT COPOLYMER | 住友精化株式会社 (JP) | 2020-11-26 | — | — | WO | disclosed |
| EP-1165085-B1 | PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES | NOVARTIS AG (CH) | 2006-06-14 | — | — | EP | disclosed |