⚠ 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 | |
|---|---|---|---|---|
| Methyl Phosphonate SCHEMBL1396541 | 0.84 | CA2 (0.40) | — | |
| SCHEMBL21799375 | 0.82 | — | — | |
| SCHEMBL14814583 | 0.82 | CA1 (0.32) | — | |
| SCHEMBL32689657 | 0.80 | — | — | |
| SCHEMBL329519 | 0.79 | — | — | |
| SCHEMBL1396573 | 0.78 | MMP1 (0.31) | — | |
| SCHEMBL13478286 | 0.76 | TP53 (0.43) | — | |
| SCHEMBL28158052 | 0.76 | TDP1 (0.40) | — | |
| SCHEMBL350876 | 0.74 | CA1 (0.33) | — | |
| SCHEMBL11395612 | 0.74 | TP53 (0.42) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2981536-B1 | N-PHENYL-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B | JANSSEN SCIENCES IRELAND UC (IE) | 2017-06-14 | — | — | EP | disclosed |
| EP-1847532-A1 | IGF-1R INHIBITOR | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2007-10-24 | — | — | EP | disclosed |
| US-7098217-B2 | 3,7-dihydro-purine-2,6-dione derivatives as CRF receptor ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-08-29 | — | — | US | disclosed |
| US-6894045-B2 | Tetrahydropurinones and derivatives thereof as corticotropin releasing factor receptor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-05-17 | — | — | US | disclosed |
| US-20050026937-A1 | 3,7-dihydro-purine-2,6-dione derivatives as CRF receptor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2005-02-03 | — | — | US | disclosed |
| US-20030149059-A1 | Tetrahydropurinones and derivatives thereof as corticotropin releasing factor receptor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-08-07 | — | — | US | disclosed |
| US-20030119831-A1 | 3,7-dihydro-purine-2,6-dione derivatives as CRF receptor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-06-26 | — | — | US | disclosed |
| WO-2003043637-A1 | 3,7-DIHYDRO-PURINE-2,6-DIONE DERIVATIVES AS CRF RECEPTOR LIGANDS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2003-05-30 | — | — | WO | disclosed |