⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12033846 | 0.97 | — | — | |
| SCHEMBL12835171 | 0.97 | — | — | |
| SCHEMBL22212495 | 0.93 | — | — | |
| SCHEMBL17690663 | 0.86 | — | — | |
| SCHEMBL12521991 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL18867835 | 0.75 | ACHE (0.32) | — | |
| SCHEMBL477274 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL6609618 | 0.73 | — | — | |
| SCHEMBL17058019 | 0.73 | — | — | |
| SCHEMBL13417451 | 0.73 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3221306-B1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-11-13 | — | — | EP | disclosed |
| EP-3144292-A1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) | 2017-03-22 | — | — | EP | disclosed |
| EP-3009434-A1 | METHOD OF PREPARING AN INHIBITOR OF CYTOCHROME P450 MONOOXYGENASE, AND INTERMEDIATES INVOLVED | GILEAD SCIENCES, INC. (US) | 2016-04-20 | — | — | EP | disclosed |
| EP-2414325-B1 | METHOD OF PREPARING AN INHIBITOR OF CYTOCHROME P450 MONOOXYGENASE, AND INTERMEDIATES INVOLVED. | GILEAD SCIENCES INC (US) | 2015-08-26 | — | — | EP | disclosed |
| EP-2261223-B1 | Pyrimidine derivatives used as pi-3 kinase inhibitors | NOVARTIS AG (CH) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012024363-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-23 | — | — | WO | disclosed |
| EP-1670739-A4 | CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2007-08-08 | — | — | EP | disclosed |
| EP-1670739-A2 | CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Company (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005032490-A2 | CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-14 | — | — | WO | disclosed |