⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10448869 | 0.68 | TRPA1 (0.30) | — | |
| SCHEMBL276861 | 0.65 | LMNA (0.32) | — | |
| SCHEMBL5672949 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL871980 | 0.64 | LMNA (0.31) | — | |
| SCHEMBL2204951 | 0.64 | LMNA (0.31) | — | |
| SCHEMBL630372 | 0.64 | LMNA (0.31) | — | |
| SCHEMBL451675 | 0.64 | TRPA1 (0.30) | — | |
| SCHEMBL448708 | 0.64 | KDM4E (0.35) | — | |
| SCHEMBL30334802 | 0.64 | LMNA (0.43) | — | |
| SCHEMBL121647 | 0.64 | LMNA (0.43) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588049-A2 | OPHTHALMIC DEVICES CONTAINING CHEMOKINE ANTAGONISTS | Johnson & Johnson Vision Care Inc. (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012012184-A2 | OPHTHALMIC DEVICES CONTAINING CHEMOKINE ANTAGONISTS | JOHNSON & JOHNSON VISION CARE, INC. (US) | 2012-01-26 | — | — | WO | disclosed |
| US-20120004298-A1 | OPHTHALMIC DEVICES CONTAINING CHEMOKINE ANTAGONISTS | JOHNSON & JOHNSON VISION CARE, INC. | 2012-01-05 | — | — | US | disclosed |
| US-7799824-B2 | Quaternary salt CCR2 antagonists | ORAPHARMA, INC. (US) | 2010-09-21 | — | — | US | disclosed |
| EP-1765803-A1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-03-28 | — | — | EP | disclosed |
| US-20060293379-A1 | Quaternary salt CCR2 antagonists | KENVUE BRANDS LLC | 2006-12-28 | — | — | US | disclosed |
| WO-2006012135-A1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA, N. V. (BE) | 2006-02-02 | — | — | WO | disclosed |
| US-4937246-A | ABSORBED EASILY FROM INTESTINES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-06-26 | — | — | US | disclosed |
| EP-0368670-A1 | Trisubstituted piperazine compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-05-16 | — | — | EP | disclosed |