⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7681264 | 0.76 | — | — | |
| SCHEMBL7680924 | 0.72 | SIRT2 (0.32) | — | |
| SCHEMBL7682457 | 0.71 | KMT2A (0.34) | — | |
| SCHEMBL7678111 | 0.68 | SRD5A2 (0.38) | — | |
| SCHEMBL7678595 | 0.67 | MAPT (0.41) | — | |
| SCHEMBL11614894 | 0.65 | ABCB11 (0.41) | — | |
| SCHEMBL8050588 | 0.64 | PTGS2 (0.55) | — | |
| SCHEMBL7678995 | 0.64 | HSD17B10 (0.33) | — | |
| SCHEMBL7678318 | 0.64 | PTGS2 (0.53) | — | |
| SCHEMBL7682350 | 0.60 | LMNA (0.33) | — |
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-6455703-B2 | ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION | CELL PATHWAYS, INC. | 2002-09-24 | — | — | US | disclosed |
| US-20010051651-A1 | 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia | OSI PHARMACEUTICALS, INC. | 2001-12-13 | — | — | US | disclosed |
| US-6160003-A | 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia | CELL PATHWAYS, INC. (US) | 2000-12-12 | — | — | US | disclosed |
| US-5939417-A | 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia | CELL PATHWAYS INC (US) | 1999-08-17 | — | — | US | disclosed |