⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL444171 | 0.93 | — | — | |
| SCHEMBL8060438 | 0.90 | — | — | |
| SCHEMBL8056091 | 0.90 | — | — | |
| SCHEMBL239548 | 0.90 | — | — | |
| SCHEMBL238200 | 0.85 | — | — | |
| SCHEMBL8057798 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL8056774 | 0.76 | CYP2D6 (0.33) | — | |
| SCHEMBL27342 | 0.76 | — | — | |
| SCHEMBL8055973 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL352864 | 0.73 | — | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2307387-B1 | NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE | HOFFMANN LA ROCHE (CH) | 2013-11-20 | — | — | EP | claimed |
| US-8471004-B2 | Bicyclic compounds | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | claimed |
| EP-2491022-A1 | DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2012-08-29 | — | — | EP | claimed |
| EP-2486042-A1 | BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-08-15 | — | — | EP | claimed |
| US-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | claimed |
| JP-2011529095-A | — | — | 2011-12-01 | — | — | JP | claimed |
| JP-2011528001-A | — | — | 2011-11-10 | — | — | JP | claimed |
| EP-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | claimed |
| WO-2011048032-A1 | DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-28 | — | — | WO | claimed |
| WO-2011042399-A1 | BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-14 | — | — | WO | claimed |
| EP-2307387-A1 | NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | claimed |
| US-20110082294-A1 | NOVEL BICYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2011-04-07 | — | — | US | claimed |
| WO-2010012619-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | WO | claimed |
| US-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-28 | — | — | US | claimed |
| WO-2010006938-A1 | NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-21 | — | — | WO | claimed |
| US-20100016282-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-21 | — | — | US | claimed |
| EP-2491022-B1 | DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2014-12-31 | — | — | EP | disclosed |
| EP-2486042-B1 | BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2014-01-22 | — | — | EP | disclosed |
| US-4261891-A | BACTERICIDES, ANTITUBERCULAR AGENTS | CIBA-GEIGY CORPORATION (US) | 1981-04-14 | — | — | US | disclosed |
| US-4005077-A | DERIVATIVES OF RIFAMYCIN S OR SV | CIBA-GEIGY CORPORATION (US) | 1977-01-25 | — | — | US | disclosed |