⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL7640503 | 0.77 | GPR3 (0.31) | — | |
| SCHEMBL8504079 | 0.76 | GPR3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL565996 | 0.75 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL2481764 | 0.73 | SLC6A2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL25409022 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL25413075 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL25410766 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2481794 | 0.69 | NPC1 (0.31) | — | |
| SCHEMBL9230171 | 0.68 | ALDH1A1 (0.33) | — | |
| Methane SCHEMBL5346991 | 0.68 | NPC1 (0.30) | — |
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-20020143125-A1 | Catalyst component and catalyst system having a high polymerization activity for preparing polymers | KAMINSKY WALTER (DE) | 2002-10-03 | — | — | US | disclosed |