⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6658907 | 0.81 | — | — | |
| SCHEMBL31520403 | 0.81 | — | — | |
| SCHEMBL30969478 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL8156277 | 0.72 | — | — | |
| SCHEMBL4664150 | 0.72 | — | — | |
| SCHEMBL675650 | 0.72 | — | — | |
| SCHEMBL620967 | 0.69 | — | — | |
| SCHEMBL6050186 | 0.69 | — | — | |
| SCHEMBL6050187 | 0.69 | — | — | |
| SCHEMBL3050107 | 0.67 | — | — |
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-2002000795-A2 | METHOD FOR PREPARING COLD BITUMINOUS MIXES AND ROAD PAVEMENTS FROM BITUMINOUS EMULSIONS, SAID BITUMINOUS EMULSIONS | CECA S.A. (FR) | 2002-01-03 | — | — | WO | claimed |