⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL247189 | 0.73 | — | — | |
| SCHEMBL2331627 | 0.73 | — | — | |
| SCHEMBL290166 | 0.73 | — | — | |
| SCHEMBL14739744 | 0.73 | — | — | |
| SCHEMBL17748990 | 0.73 | — | — | |
| SCHEMBL15167302 | 0.73 | — | — | |
| SCHEMBL17505971 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL8852659 | 0.70 | LPAR2 (0.30) | — | |
| SCHEMBL8852654 | 0.70 | LPAR2 (0.30) | — | |
| SCHEMBL15638549 | 0.69 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200352898-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2020-11-12 | — | — | US | disclosed |
| US-20190029990-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2019-01-31 | — | — | US | disclosed |
| US-20170165219-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2017-06-15 | — | — | US | disclosed |
| EP-2855426-B1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2017-01-04 | — | — | EP | disclosed |
| US-9458128-B2 | Catechol O-methyltransferase activity inhibiting compounds | ORION CORPORATION (FI) | 2016-10-04 | — | — | US | disclosed |
| EP-2687507-B1 | NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND | TAISHO PHARMACEUTICAL CO LTD (JP) | 2016-03-09 | — | — | EP | disclosed |
| US-20150218124-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORPORATION (FI) | 2015-08-06 | — | — | US | disclosed |
| US-9035059-B2 | Nitrogen-containing condensed heterocyclic compound | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2015-05-19 | — | — | US | disclosed |
| EP-2687507-A1 | NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND | Taisho Pharmaceutical Co., Ltd. (JP) | 2014-01-22 | — | — | EP | disclosed |
| US-20140005382-A1 | NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2014-01-02 | — | — | US | disclosed |