⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3845573 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL21268201 | 0.71 | — | — | |
| SCHEMBL16193564 | 0.71 | — | — | |
| SCHEMBL19640267 | 0.71 | — | — | |
| SCHEMBL23777832 | 0.67 | TRPA1 (0.31) | — | |
| SCHEMBL21268190 | 0.67 | CYP2A6 (0.33) | — | |
| SCHEMBL21268413 | 0.67 | TGM2 (0.34) | — | |
| SCHEMBL2470763 | 0.67 | XDH (0.35) | — | |
| SCHEMBL28382334 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL4186104 | 0.67 | CA1 (0.40) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7611909-B1 | Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays | SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) | 2009-11-03 | — | — | US | disclosed |
| EP-1104405-B1 | NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF | SIEMENS HEALTHCARE DIAGNOSTICS (US) | 2009-02-18 | — | — | EP | disclosed |
| US-7083986-B2 | Near infrared chemiluminescent acridinium compounds and uses thereof | BAYER HEALTHCARE LLC (US) | 2006-08-01 | — | — | US | disclosed |
| US-20020076823-A1 | Near infrared chemiluminescent acridinium compounds and uses thereof | BAYER CORPORATION (US) | 2002-06-20 | — | — | US | disclosed |
| US-6355803-B1 | COMPOUND COMPRISING EXTENDED, COPLANAR, CONJUGATED SYSTEM, FORMED BY ATTACHMENT OF FUNCTIONAL GROUP COMPRISING AROMATIC RING AND ELECTRON-DONATING GROUP ON ACRIDINIUM NUCLEUS, WHICH MAINTAINS COPLANARITY DURING LIGHT EMISSION | BAYER CORPORATION | 2002-03-12 | — | — | US | disclosed |
| EP-1104405-A1 | NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF | Bayer Corporation (US) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009487-A9 | NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF | BAYER AG (US) | 2000-06-22 | — | — | WO | disclosed |
| WO-2000009487-A1 | NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF | BAYER CORPORATION (US) | 2000-02-24 | — | — | WO | disclosed |