⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10875328 | 0.74 | POLA1 (0.47) | — | |
| SCHEMBL29523536 | 0.72 | — | — | |
| SCHEMBL20357486 | 0.71 | — | — | |
| SCHEMBL4576502 | 0.68 | — | — | |
| SCHEMBL10565815 | 0.66 | — | — | |
| SCHEMBL29965944 | 0.66 | MAPK1 (0.30) | — | |
| SCHEMBL27937457 | 0.64 | — | — | |
| SCHEMBL7095408 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL11823555 | 0.62 | — | — | |
| SCHEMBL28632672 | 0.61 | — | — |
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-2011104341-A2 | HEAT EXCHANGER AND COMPONENTS FOR MOTOR VEHICLE COOLING CIRCUITS | BEHR GMBH & CO. KG (DE) | 2011-09-01 | — | — | WO | claimed |