⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17034701 | 0.84 | L3MBTL1 (0.32) | — | |
| SCHEMBL17034692 | 0.82 | CA2 (0.39) | — | |
| SCHEMBL14500182 | 0.72 | — | — | |
| SCHEMBL1453793 | 0.71 | ADRA2A (0.37) | — | |
| SCHEMBL4035804 | 0.70 | CYP2A6 (0.36) | — | |
| SCHEMBL26606302 | 0.70 | MAOA (0.34) | — | |
| SCHEMBL30477217 | 0.70 | CYP2A6 (0.36) | — | |
| SCHEMBL11348878 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL8976830 | 0.69 | — | — | |
| SCHEMBL8368488 | 0.68 | CA2 (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 |
|---|---|---|---|---|---|---|---|
| US-10010554-B2 | Fused pyrimidines as inhibitors of P97 complex | CLEAVE BIOSCIENCES, INC. (US) | 2018-07-03 | — | — | US | disclosed |
| US-20170258795-A1 | FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX | CLEAVE THERAPEUTICS, INC. | 2017-09-14 | — | — | US | disclosed |
| US-9475824-B2 | Fused pyrimidines as inhibitors of p97 complex | CLEAVE BIOSCIENCES, INC. (US) | 2016-10-25 | — | — | US | disclosed |
| US-20150239907-A1 | FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX | CLEAVE THERAPEUTICS, INC. | 2015-08-27 | — | — | US | disclosed |