⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL849669 | 0.64 | — | — | |
| SCHEMBL1140198 | 0.62 | — | — | |
| SCHEMBL87312 | 0.59 | CYP3A4 (0.32) | — | |
| SCHEMBL17722392 | 0.59 | — | — | |
| SCHEMBL14663846 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL14877508 | 0.58 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL572769 | 0.57 | CYP3A4 (0.31) | — | |
| Iodide SCHEMBL2341578 | 0.57 | CYP3A4 (0.31) | — | |
| Bromide SCHEMBL1045354 | 0.57 | CYP3A4 (0.31) | — | |
| SCHEMBL15662580 | 0.56 | CYP3A4 (0.35) | — |
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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170362213-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & COMPANHIA, S.A. (PT) | 2017-12-21 | — | — | US | claimed |
| US-20150359783-A1 | PHARMACEUTICAL FORMULATIONS COMPRISING NITROCATECHOL DERIVATIVES AND METHODS OF MAKING THEREOF | BIAL - PORTELA & CA, S.A. (PT) | 2015-12-17 | — | — | US | claimed |
| US-20150072977-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | BIAL - PORTELA & CA, S.A. (PT) | 2015-03-12 | — | — | US | claimed |
| EP-2413912-A1 | PHARMACEUTICAL FORMULATIONS COMPRISING NITROCATECHOL DERIVATIVES AND METHODS OF MAKING THEREOF | Bial-Portela & CA, S.A. (PT) | 2012-02-08 | — | — | EP | claimed |
| EP-2301934-A1 | Nitrocatechol derivatives as COMT inhibitors | BIAL - Portela & Ca., S.A. (PT) | 2011-03-30 | — | — | EP | claimed |
| US-20100256193-A1 | PHARMACEUTICAL FORMULATIONS COMPRISING NITROCATECHOL DERIVATIVES AND METHODS OF MAKING THEREOF | BIAL - PORTELA & CA, S.A. (PT) | 2010-10-07 | — | — | US | claimed |
| WO-2010114404-A1 | PHARMACEUTICAL FORMULATIONS COMPRISING NITROCATECHOL DERIVATIVES AND METHODS OF MAKING THEREOF | BIAL - PORTELA & CA., S.A. (PT) | 2010-10-07 | — | — | WO | claimed |
| US-20100168113-A1 | Pharmaceutical Compounds | BIAL-PORTELA & CA., S.A. (PT) | 2010-07-01 | — | — | US | claimed |
| US-20090054437-A1 | Nitrocatechol Derivatives as Comt Inhibitors | PORTELA & CA., S.A. (PT) | 2009-02-26 | — | — | US | claimed |
| EP-2027091-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - Portela & Ca., S.A. (PT) | 2009-02-25 | — | — | EP | claimed |
| EP-1907382-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | Portela & C.A. S.A (PT) | 2008-04-09 | — | — | EP | claimed |
| WO-2007117165-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - PORTELA & CA, S.A. (PT) | 2007-10-18 | — | — | WO | claimed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | claimed |
| EP-1439590-A2 | Mono-, oligo- and poly-bis(thienyl) arylenes and their use as charge transport materials | MERCK PATENT GmbH (DE) | 2004-07-21 | — | — | EP | claimed |
| US-20040119049-A1 | Mono-, oligo- and poly-bis(thienyl) arylenes and their use as charge transport materials | MERCK PATENT GMBH (DE) | 2004-06-24 | — | — | US | claimed |
| US-20220388999-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | BIAL PORTELA & CA SA (PT) | 2022-12-08 | — | — | US | disclosed |
| EP-2413913-B1 | PHARMACEUTICAL FORMULATIONS COMPRISING NITROCATECHOL DERIVATIVES AND METHODS OF MAKING THE SAME | BIAL PORTELA & CA SA (PT) | 2022-05-18 | — | — | EP | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |
| EP-1439590-A2 | Mono-, oligo- and poly-bis(thienyl) arylenes and their use as charge transport materials | MERCK PATENT GmbH (DE) | 2004-07-21 | — | — | EP | disclosed |
| US-20040119049-A1 | Mono-, oligo- and poly-bis(thienyl) arylenes and their use as charge transport materials | MERCK PATENT GMBH (DE) | 2004-06-24 | — | — | US | disclosed |