⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7030486 | 0.81 | PTPN1 (0.30) | — | |
| SCHEMBL7020947 | 0.80 | — | — | |
| SCHEMBL7023519 | 0.78 | CYP2C19 (0.33) | — | |
| SCHEMBL7022619 | 0.76 | — | — | |
| SCHEMBL7024439 | 0.75 | PTPN1 (0.47) | — | |
| SCHEMBL7104703 | 0.74 | ELANE (0.31) | — | |
| SCHEMBL7025251 | 0.68 | — | — | |
| SCHEMBL7028568 | 0.67 | — | — | |
| SCHEMBL10298961 | 0.65 | CYP2C19 (0.35) | — | |
| SCHEMBL13937723 | 0.65 | HMGCR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1064257-B1 | ANTI-TUMOUR AGENTS | ASTRAZENECA AB (SE) | 2003-01-29 | — | — | EP | disclosed |
| US-6472435-B1 | ANTITUMOR ANTIPROLIFERATION AGENT FORMED BY AMIDATION OF CARBOXY ACID WITH AROMATIC AMINE COMPOUND | ASTRAZENECA AB (SE) | 2002-10-29 | — | — | US | disclosed |
| EP-1064257-A1 | ANTI-TUMOUR AGENTS | AstraZeneca AB (SE) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048860-A1 | ANTI-TUMOUR AGENTS | ASTRAZENECA AB (SE) | 1999-09-30 | — | — | WO | disclosed |