⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1386444 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL28061027 | 0.70 | — | — | |
| SCHEMBL16716848 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL9557656 | 0.66 | HTR6 (0.36) | — | |
| SCHEMBL1966529 | 0.66 | HTR6 (0.41) | — | |
| SCHEMBL28175563 | 0.66 | HTR6 (0.36) | — | |
| SCHEMBL28193456 | 0.64 | SLC6A2 (0.35) | — | |
| SCHEMBL3854811 | 0.64 | HTR6 (0.39) | — | |
| SCHEMBL23513852 | 0.63 | — | — | |
| SCHEMBL21422730 | 0.62 | — | — |
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-6673803-B2 | FOR TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS; ACTIVITY AGAINST EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE | ZENECA LIMITED (GB) | 2004-01-06 | — | — | US | disclosed |
| US-20020173646-A1 | Quinazoline derivatives and pharmaceutical compositions containing them | ZENECA LIMITED | 2002-11-21 | — | — | US | disclosed |
| EP-1115694-A1 | SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | Monsanto Company (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000018723-A1 | SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | disclosed |