⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7093049 | 0.68 | ADORA2A (0.45) | — | |
| SCHEMBL16247101 | 0.65 | ADORA2A (0.34) | — | |
| SCHEMBL28990871 | 0.65 | — | — | |
| SCHEMBL1802262 | 0.63 | MAPK1 (0.40) | — | |
| SCHEMBL5239967 | 0.63 | CYP2A6 (0.43) | — | |
| SCHEMBL2751180 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL2753595 | 0.63 | — | — | |
| SCHEMBL5757945 | 0.62 | GAA (0.41) | — | |
| SCHEMBL5673303 | 0.61 | MEN1 (0.31) | — | |
| SCHEMBL1557607 | 0.61 | POLB (0.41) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2276764-B1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2013-07-24 | — | — | EP | claimed |
| US-8178523-B2 | Compounds for the treatment of hepatitis C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-05-15 | — | — | US | claimed |
| US-20110020275-A1 | Compounds for the Treatment of Hepatitis C | BRISTOL-MYERS SQUIBB COMPANY | 2011-01-27 | — | — | US | claimed |
| EP-2276764-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2011-01-26 | — | — | EP | claimed |
| WO-2009120745-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-01 | — | — | WO | claimed |
| EP-3684357-B1 | HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME LLC (US) | 2022-12-28 | — | — | EP | disclosed |
| US-11198687-B2 | Heteroaryl allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME CORP. (US) | 2021-12-14 | — | — | US | disclosed |
| US-20200262826-A1 | HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2020-08-20 | — | — | US | disclosed |
| EP-3684357-A1 | HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | Merck Sharp & Dohme Corp. (US) | 2020-07-29 | — | — | EP | disclosed |
| WO-2019060210-A1 | HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2019-03-28 | — | — | WO | disclosed |
| EP-2276764-B1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2013-07-24 | — | — | EP | disclosed |
| US-8178523-B2 | Compounds for the treatment of hepatitis C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-05-15 | — | — | US | disclosed |
| US-20110020275-A1 | Compounds for the Treatment of Hepatitis C | BRISTOL-MYERS SQUIBB COMPANY | 2011-01-27 | — | — | US | disclosed |
| EP-2276764-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009120745-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-01 | — | — | WO | disclosed |