⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6527937 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL8728810 | 0.64 | — | — | |
| SCHEMBL4795248 | 0.61 | — | — | |
| SCHEMBL2068702 | 0.61 | — | — | |
| SCHEMBL7619587 | 0.61 | — | — | |
| SCHEMBL1670 | 0.61 | — | — | |
| SCHEMBL2024292 | 0.61 | — | — | |
| SCHEMBL5175128 | 0.61 | — | — | |
| SCHEMBL754334 | 0.61 | TDP1 (0.31) | — | |
| SCHEMBL2307373 | 0.61 | — | — |
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-20220047540-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2022-02-17 | — | — | US | disclosed |
| 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 |
| US-20150218124-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORPORATION (FI) | 2015-08-06 | — | — | US | disclosed |
| EP-2855426-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | Orion Corporation (FI) | 2015-04-08 | — | — | EP | disclosed |
| CN-104334525-A | Catechol o-methyltransferase activity inhibiting compounds | ORION CORP | 2015-02-04 | — | — | CN | disclosed |
| WO-2013175053-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORPORATION (FI) | 2013-11-28 | — | — | WO | disclosed |