⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8893 | 0.83 | ABCB1 (0.36) | — | |
| Hydrogen Peroxide SCHEMBL9193981 | 0.79 | ABCB1 (0.34) | — | |
| SCHEMBL11249491 | 0.68 | — | — | |
| SCHEMBL5889189 | 0.66 | PTPN1 (0.30) | — | |
| SCHEMBL1496265 | 0.65 | — | — | |
| SCHEMBL18107128 | 0.62 | — | — | |
| SCHEMBL5014812 | 0.61 | ALDH1A1 (0.34) | — | |
| SCHEMBL12198382 | 0.59 | — | — | |
| SCHEMBL6282517 | 0.58 | KMT2A (0.33) | — | |
| SCHEMBL10484248 | 0.58 | ABCB1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997008116-A1 | FLUID HEAT TRANSFER MEDIUM AND HEAT TRANSFER PROCESS | LOIKITS INDUSTRIAL SERVICES (US) | 1997-03-06 | — | — | WO | disclosed |