⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4067961 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL4073024 | 0.75 | EPHX1 (0.36) | — | |
| SCHEMBL4066674 | 0.75 | MMP1 (0.32) | — | |
| SCHEMBL4063347 | 0.69 | CCR1 (0.37) | — | |
| SCHEMBL7583549 | 0.68 | REN (0.41) | — | |
| SCHEMBL4058890 | 0.68 | CCR1 (0.36) | — | |
| SCHEMBL4065205 | 0.67 | FFAR2 (0.37) | — | |
| SCHEMBL4069707 | 0.65 | MMP3 (0.42) | — | |
| SCHEMBL4063155 | 0.65 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL4066009 | 0.64 | REN (0.40) | — |
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-20020198207-A1 | Novel Hexanoic acid derivatives | KATH JOHN CHARLES (US) | 2002-12-26 | — | — | US | disclosed |
| US-6403587-B1 | AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND | PFIZER INC. | 2002-06-11 | — | — | US | disclosed |