⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17008176 | 0.69 | — | — | |
| SCHEMBL6112732 | 0.65 | — | — | |
| SCHEMBL2548734 | 0.65 | — | — | |
| SCHEMBL1159494 | 0.65 | — | — | |
| SCHEMBL7163926 | 0.65 | — | — | |
| SCHEMBL14599879 | 0.65 | — | — | |
| SCHEMBL10493620 | 0.62 | — | — | |
| Ethyne SCHEMBL27384295 | 0.62 | — | — | |
| SCHEMBL18629844 | 0.62 | — | — | |
| SCHEMBL6065005 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4309301-A | CORROSION RESISTANCE | THE DOW CHEMICAL COMPANY (US) | 1982-01-05 | — | — | US | claimed |
| WO-2011122805-A2 | A COMPOSITION COMPRISING AJOENE FOR PREVENTING OR TREATING A DISEASE CAUSED BY OVEREXPRESSION OF LXR-ALPHA | SNU R&DB FOUNDATION (KR) | 2011-10-06 | — | — | WO | disclosed |