⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL136053 | 0.68 | NOX1 (0.38) | — | |
| SCHEMBL7453629 | 0.65 | RAD52 (0.45) | — | |
| SCHEMBL334309 | 0.65 | — | — | |
| SCHEMBL3585935 | 0.65 | GAA (0.37) | — | |
| SCHEMBL4848367 | 0.65 | — | — | |
| SCHEMBL758580 | 0.64 | — | — | |
| SCHEMBL1602727 | 0.64 | — | — | |
| SCHEMBL3577696 | 0.64 | MEN1 (0.32) | — | |
| SCHEMBL367553 | 0.60 | MAPT (0.58) | — | |
| SCHEMBL11793446 | 0.58 | BCHE (0.59) | — |
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-20100234364-A1 | CCR2 INHIBITORS AND METHODS OF USE THEREOF | CHEMOCENTRYX, INC. | 2010-09-16 | — | — | US | disclosed |