⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL10414104 | 0.84 | TSHR (0.33) | — | |
| Propene SCHEMBL9250413 | 0.81 | TSHR (0.36) | — | |
| Propene SCHEMBL2745364 | 0.81 | — | — | |
| Propene SCHEMBL1075390 | 0.81 | TSHR (0.36) | — | |
| Propene SCHEMBL5979778 | 0.81 | TSHR (0.36) | — | |
| Propene SCHEMBL8159815 | 0.78 | TSHR (0.33) | — | |
| Propene SCHEMBL10413219 | 0.78 | TSHR (0.33) | — | |
| Propene SCHEMBL11591332 | 0.78 | TSHR (0.33) | — | |
| Propene SCHEMBL11256131 | 0.75 | TSHR (0.32) | — | |
| Propene SCHEMBL16712154 | 0.73 | ALDH1A1 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7071158-B2 | Antioxidant enhancement of therapy for hyperproliferative conditions | ATHEROGENICS, INC. (US) | 2006-07-04 | — | — | US | disclosed |
| US-20010049349-A1 | Antioxidant enhancement of therapy for hyperproliferative conditions | CRABTREE ACQUISITION CO, LLC | 2001-12-06 | — | — | US | disclosed |
| EP-1019034-A2 | ANTIOXIDANT ENHANCEMENT OF THERAPY FOR HYPERPROLIFERATIVE CONDITIONS | Atherogenics, Inc. (US) | 2000-07-19 | — | — | EP | disclosed |
| WO-1999001118-A9 | ANTIOXIDANT ENHANCEMENT OF THERAPY FOR HYPERPROLIFERATIVE CONDITIONS | ATHEROGENICS INC (US) | 1999-05-20 | — | — | WO | disclosed |
| WO-1999001118-A2 | ANTIOXIDANT ENHANCEMENT OF THERAPY FOR HYPERPROLIFERATIVE CONDITIONS | ATHEROGENICS, INC. (US) | 1999-01-14 | — | — | WO | disclosed |