⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4069360 | 0.90 | DPP4 (0.31) | — | |
| SCHEMBL4059264 | 0.83 | L3MBTL1 (0.35) | — | |
| SCHEMBL4069604 | 0.82 | SLC1A3 (0.33) | — | |
| SCHEMBL7590168 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL2675965 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL4069582 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL4064238 | 0.78 | ANPEP (0.34) | — | |
| SCHEMBL4060929 | 0.78 | EPHX1 (0.31) | — | |
| SCHEMBL4073406 | 0.77 | VCP (0.35) | — | |
| SCHEMBL4063102 | 0.75 | ANPEP (0.38) | — |
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 4 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 |
| EP-0966443-A1 | HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR | PFIZER INC. (US) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998038167-A1 | HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR | PFIZER INC. (US) | 1998-09-03 | — | — | WO | disclosed |