⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2440332 | 0.84 | — | — | |
| SCHEMBL2324565 | 0.77 | — | — | |
| SCHEMBL27133 | 0.77 | — | — | |
| SCHEMBL27132 | 0.77 | — | — | |
| SCHEMBL4972575 | 0.74 | — | — | |
| SCHEMBL31471547 | 0.71 | — | — | |
| SCHEMBL296930 | 0.71 | — | — | |
| SCHEMBL21174918 | 0.70 | — | — | |
| SCHEMBL251406 | 0.69 | — | — | |
| SCHEMBL9658800 | 0.69 | — | — |
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-7428816-B2 | Working fluids for thermal energy conversion of waste heat from fuel cells using Rankine cycle systems | HONEYWELL INTERNATIONAL INC. (US) | 2008-09-30 | — | — | US | disclosed |
| US-20060010872-A1 | Working fluids for thermal energy conversion of waste heat from fuel cells using rankine cycle systems | HONEYWELL INTERNATIONAL INC. | 2006-01-19 | — | — | US | disclosed |