⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL66707 | 0.93 | ALDH1A1 (0.42) | — | |
| SCHEMBL7991192 | 0.91 | CXCR3 (0.42) | — | |
| SCHEMBL3647069 | 0.82 | — | — | |
| SCHEMBL28369367 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL9630730 | 0.80 | GSTP1 (0.33) | — | |
| SCHEMBL4635955 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL722436 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL1691833 | 0.74 | — | — | |
| SCHEMBL11084524 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL27927911 | 0.74 | ALDH1A1 (0.39) | — |
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-6277790-B1 | APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-21 | — | — | US | disclosed |
| CN-1054859-C | Gas phase polymerization reactions utilizing solubl unsupported catalysts | UNION GARBIDE CHEMICALS & PLAS (US) | 2000-07-26 | — | — | CN | disclosed |