⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL706065 | 0.79 | CHRM1 (0.35) | — | |
| SCHEMBL16179185 | 0.70 | TSHR (0.31) | — | |
| Ethylene Glycol SCHEMBL7866285 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL28327086 | 0.68 | — | — | |
| SCHEMBL1246327 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL9662967 | 0.66 | — | — | |
| SCHEMBL288304 | 0.66 | — | — | |
| SCHEMBL7858145 | 0.64 | — | — | |
| SCHEMBL1049312 | 0.64 | DNM1 (0.39) | — | |
| SCHEMBL4448087 | 0.64 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3262057-A1 | SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS | Pfizer Inc (US) | 2018-01-03 | — | — | EP | disclosed |
| WO-2016185348-A1 | 4,5,6,9-TETRAHYDROPYRROLO[2',3':3,4]CYCLOHEPTA[1,2-D] ISOXAZOLE, PROCESS FOR THEIR PRODUCTION AND THEIR USES AS ANTITUMOR AGENTS | UNIVERSITA' DEGLI STUDI DI PALERMO (IT) | 2016-11-24 | — | — | WO | disclosed |
| WO-2016135582-A1 | SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER INC. (US) | 2016-09-01 | — | — | WO | disclosed |
| EP-2539341-A1 | DERIVATIVES OF 1-PHENYL-1,5-DIHYDRO-BENZO[B][1.4]DIAZEPINE-2.4-DIONE AS INHIBITORS OF HIV REPLICATION | Boehringer Ingelheim International GmbH (DE) | 2013-01-02 | — | — | EP | disclosed |
| WO-2011100838-A1 | DERIVATIVES OF 1-PHENYL-1,5-DIHYDRO-BENZO[B] [1.4]DIAZEPINE-2.4-DIONE AS INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-25 | — | — | WO | disclosed |
| EP-2229377-A1 | 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS | Wyeth LLC (US) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009076602-A1 | 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS | WYETH (US) | 2009-06-18 | — | — | WO | disclosed |