⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL61220 | 0.97 | — | — | |
| SCHEMBL31099299 | 0.97 | — | — | |
| Benzene SCHEMBL28260613 | 0.94 | CYP3A4 (0.58) | — | |
| Hydrochloric Acid SCHEMBL28657534 | 0.94 | — | — | |
| SCHEMBL27270310 | 0.94 | — | — | |
| Benzene SCHEMBL21624958 | 0.94 | CYP3A4 (0.58) | — | |
| Methane SCHEMBL1639492 | 0.94 | — | — | |
| SCHEMBL25975098 | 0.82 | MAOA (0.62) | — | |
| Phenol SCHEMBL27588321 | 0.82 | ALDH1A1 (0.58) | — | |
| Benzenethiol SCHEMBL27818160 | 0.81 | CYP3A4 (0.63) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8338605-B2 | Anti-viral compounds | ABBOTT LABORATORIES (US) | 2012-12-25 | — | — | US | disclosed |
| CN-102702194-A | Anti-viral compounds | ABBOTT LAB | 2012-10-03 | — | — | CN | disclosed |
| US-20100256139-A1 | Anti-Viral Compounds | ABBOTT LABORATORIES (US) | 2010-10-07 | — | — | US | disclosed |
| EP-1979349-B1 | ANTI-VIRAL COMPOUNDS | ABBOTT LAB (US) | 2010-07-28 | — | — | EP | disclosed |
| US-7763731-B2 | Anti-viral compounds | ABBOTT LABORATORIES (US) | 2010-07-27 | — | — | US | disclosed |
| CN-101384592-A | Antiviral compounds | ABBOTT LAB (US) | 2009-03-11 | — | — | CN | disclosed |
| EP-1979349-A2 | ANTI-VIRAL COMPOUNDS | Abbott Laboratories (US) | 2008-10-15 | — | — | EP | disclosed |
| US-20070232645-A1 | ANTI-VIRAL COMPOUNDS | ABBVIE INC. | 2007-10-04 | — | — | US | disclosed |
| WO-2007076035-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2007-07-05 | — | — | WO | disclosed |