⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13468487 | 0.80 | GRM4 (0.32) | — | |
| SCHEMBL12087544 | 0.79 | — | — | |
| SCHEMBL23095736 | 0.76 | — | — | |
| SCHEMBL14986174 | 0.75 | — | — | |
| SCHEMBL17733570 | 0.73 | — | — | |
| SCHEMBL12445925 | 0.72 | MAPK1 (0.31) | — | |
| SCHEMBL8025628 | 0.69 | — | — | |
| SCHEMBL12685847 | 0.67 | MEN1 (0.32) | — | |
| SCHEMBL8242069 | 0.64 | — | — | |
| SCHEMBL12955664 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2452939-A2 | PIPERAZINYL 3-AMINOPYRROLIDINE DERIVATIVES AS A CCR2 ANTAGONIST | Yang Ji Chemical Co., Ltd. (KR) | 2012-05-16 | — | — | EP | disclosed |