⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4651299 | 0.76 | GPR3 (0.34) | — | |
| SCHEMBL30390148 | 0.72 | GPR3 (0.46) | — | |
| SCHEMBL6671925 | 0.72 | GPR3 (0.46) | — | |
| Hydrochloric Acid SCHEMBL4632934 | 0.71 | GPR3 (0.31) | — | |
| SCHEMBL6511788 | 0.71 | HTR2A (0.31) | — | |
| Hydrochloric Acid SCHEMBL6517936 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6515042 | 0.71 | — | — | |
| SCHEMBL6517944 | 0.70 | — | — | |
| SCHEMBL6673596 | 0.68 | GPR3 (0.34) | — | |
| SCHEMBL7895917 | 0.66 | GPR3 (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 |
|---|---|---|---|---|---|---|---|
| US-6693156-B1 | SIMPLY AND EFFICIENTLY SYNTHESIZED MATERIALS WITH VARIED SUBSTITUTION FOR TAILORED POLYMER PROPERTIES | BASELL POLYOLEFINE GMBH (DE) | 2004-02-17 | — | — | US | disclosed |