⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13062884 | 0.98 | SLC6A4 (0.33) | — | |
| SCHEMBL14665080 | 0.92 | — | — | |
| SCHEMBL10202108 | 0.92 | — | — | |
| SCHEMBL20143951 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL31105288 | 0.90 | — | — | |
| SCHEMBL17835212 | 0.84 | — | — | |
| SCHEMBL12920990 | 0.81 | SLC6A4 (0.38) | — | |
| Acetic Acid SCHEMBL29151648 | 0.81 | ARG1 (0.33) | — | |
| SCHEMBL6632368 | 0.78 | — | — | |
| SCHEMBL2904134 | 0.78 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020239107-A1 | TETRACYCLIC COMPOUNDS AS CDC7 INHIBITORS | 正大天晴药业集团股份有限公司 | 2020-12-03 | — | — | WO | disclosed |
| WO-2014086751-A1 | USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2014-06-12 | — | — | WO | disclosed |
| EP-2258687-B1 | Nicotinamide derivates useful as P38 inhibitors | GLAXOSMITHKLINE LLC (US) | 2012-12-26 | — | — | EP | disclosed |
| US-8252818-B2 | Nicotinamide derivatives useful as P38 inhibitors | GLAXOSMITHKLINE LLC (US) | 2012-08-28 | — | — | US | disclosed |
| EP-2258687-A1 | Nicotinamide derivates useful as P38 inhibitors | Glaxosmithkline LLC (US) | 2010-12-08 | — | — | EP | disclosed |
| US-20100215661-A1 | NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS | SMITHKLINE BEECHAM CORPORATION | 2010-08-26 | — | — | US | disclosed |
| US-20100215652-A1 | NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS | ASTON NICOLA MARY | 2010-08-26 | — | — | US | disclosed |
| US-7709506-B2 | Nicotinamide derivatives useful as p38 inhibitors | GLAXOSMITHKLINE LLC (US) | 2010-05-04 | — | — | US | disclosed |
| US-7514456-B2 | Nicotinamide derivatives useful as p38 inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2009-04-07 | — | — | US | disclosed |
| CN-100369898-C | Nicotinamide derivates useful as p38 inhibitors | SMITHKLINE BEECHAM CORP (US) | 2008-02-20 | — | — | CN | disclosed |
| EP-1864975-A2 | Novel compounds | SmithKline Beecham Corporation (US) | 2007-12-12 | — | — | EP | disclosed |
| EP-1474395-B1 | NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-10-17 | — | — | EP | disclosed |
| US-20060276516-A1 | Nicotinamide Derivatives Useful as p38 Inhibitors | SMITHKLINE BEECHAM CORPORATION | 2006-12-07 | — | — | US | disclosed |
| US-20060264479-A1 | Nicotinamide Derivatives Useful as p38 Inhibitors | SMITHKLINE BEECHAM CORPORATION | 2006-11-23 | — | — | US | disclosed |
| US-7125898-B2 | Nicotinamide derivatives useful as p38 inhibitors. | SMITHKLINE BEECHAM CORPORATION (US) | 2006-10-24 | — | — | US | disclosed |
| US-20050176964-A1 | Nicotinamide derivatives useful as p38 inhibitors | GLAXOSMITHKLINE LLC | 2005-08-11 | — | — | US | disclosed |
| CN-1633416-A | Nicotinamide derivatives as p38 inhibitors | SMITHKLINE BEECHAM CORP (US) | 2005-06-29 | — | — | CN | disclosed |
| US-5925642-A | ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-07-20 | — | — | US | disclosed |
| US-5668131-A | CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1997-09-16 | — | — | US | disclosed |
| CN-1143950-A | Nitroxy group-containing benzylamine derivatives and their use for treating cardiovascular diseases, as well as increased intra-ocular pressure | BYK NEDERLAND BV (NL) | 1997-02-26 | — | — | CN | disclosed |