⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15422817 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL15422829 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL666673 | 0.69 | DPP4 (0.33) | — | |
| SCHEMBL38740 | 0.67 | DPP4 (0.50) | — | |
| SCHEMBL1683556 | 0.67 | DPP4 (0.50) | — | |
| SCHEMBL1534125 | 0.67 | DPP4 (0.50) | — | |
| SCHEMBL1763134 | 0.67 | CYP3A4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL3919212 | 0.65 | DPP4 (0.48) | — | |
| Water SCHEMBL5430575 | 0.65 | DPP4 (0.48) | — | |
| SCHEMBL253354 | 0.65 | DPP4 (0.48) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3208270-A1 | FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX | Cleave Biosciences, Inc. (US) | 2017-08-23 | — | — | EP | claimed |
| EP-2875018-A1 | FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX | Cleave Biosciences, Inc. (US) | 2015-05-27 | — | — | EP | claimed |
| WO-2014015291-A1 | FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX | ZHOU HAN-JIE (US) | 2014-01-23 | — | — | WO | claimed |
| US-20140024661-A1 | FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 | CLEAVE BIOSCIENCES, INC. (US) | 2014-01-23 | — | — | US | claimed |
| EP-2875018-B1 | FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX | CLEAVE BIOSCIENCES INC (US) | 2018-02-14 | — | — | EP | disclosed |
| EP-3208270-A1 | FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX | Cleave Biosciences, Inc. (US) | 2017-08-23 | — | — | EP | disclosed |