⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6076743 | 1.00 | — | — | |
| SCHEMBL819793 | 0.78 | — | — | |
| SCHEMBL818467 | 0.78 | — | — | |
| SCHEMBL818468 | 0.78 | — | — | |
| SCHEMBL3150848 | 0.72 | — | — | |
| SCHEMBL8550311 | 0.71 | — | — | |
| SCHEMBL8550315 | 0.71 | — | — | |
| SCHEMBL16369047 | 0.69 | TSHR (0.53) | — | |
| SCHEMBL23236481 | 0.67 | — | — | |
| SCHEMBL155325 | 0.67 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7098212-B2 | Piperazine derivatives | BLUMBERG LAURA C | 2006-08-29 | — | — | US | disclosed |
| EP-1583533-A1 | USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS | Pfizer Products Inc. (US) | 2005-10-12 | — | — | EP | disclosed |
| EP-1438298-A1 | PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY | Pfizer Products Inc. (US) | 2004-07-21 | — | — | EP | disclosed |
| US-20040092529-A1 | Methods of using piperazine derivatives | PFIZER INC | 2004-05-13 | — | — | US | disclosed |
| WO-2004039376-A1 | USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2004-05-13 | — | — | WO | disclosed |
| US-20040034034-A1 | Novel piperazine derivatives | BLUMBERG LAURA C (US) | 2004-02-19 | — | — | US | disclosed |
| WO-2003035627-A1 | PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY | PFIZER PRODUCTS INC. (US) | 2003-05-01 | — | — | WO | disclosed |
| EP-0702003-B1 | Process for preparing 2-halogenpyridinaldehydes | BAYER AG (DE) | 1998-06-17 | — | — | EP | disclosed |
| US-5708180-A | CYCLIZATION OF UNSATURATED NITRILE, AMIDE OR OXIME | BAYER AKTIENGESELLSCHAFT (DE) | 1998-01-13 | — | — | US | disclosed |
| EP-0702003-A2 | Process for preparing 2-halogenpyridinaldehydes and new 2-halogenpyridinaldehydes | BAYER AG (DE) | 1996-03-20 | — | — | EP | disclosed |