⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL272489 | 0.73 | BRS3 (0.32) | — | |
| SCHEMBL4451027 | 0.72 | KDM4E (0.52) | — | |
| SCHEMBL3608886 | 0.72 | — | — | |
| SCHEMBL17673656 | 0.69 | P2RX7 (0.34) | — | |
| SCHEMBL1428276 | 0.69 | KDM4E (0.67) | — | |
| SCHEMBL3276844 | 0.68 | NTRK1 (0.31) | — | |
| SCHEMBL3706685 | 0.68 | MAPT (0.45) | — | |
| SCHEMBL41608 | 0.67 | NOTUM (0.59) | — | |
| SCHEMBL896573 | 0.67 | — | — | |
| SCHEMBL5306978 | 0.66 | POLB (0.64) | — |
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 140 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9133157-B2 | HIV protease inhibitors | MERCK CANADA INC. (CA) | 2015-09-15 | — | — | US | claimed |
| US-8877769-B2 | Heteroaryl-substituted urea modulators of fatty acid amide hydrolase | JANSEEN PHARMACEUTICA NV (BG) | 2014-11-04 | — | — | US | claimed |
| US-20140303171-A1 | HIV PROTEASE INHIBITORS | MERCK CANADA INC. (CA) | 2014-10-09 | — | — | US | claimed |
| EP-2771332-A1 | HIV PROTEASE INHIBITORS | Merck Canada Inc. (CA) | 2014-09-03 | — | — | EP | claimed |
| US-20140221322-A1 | HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE | JANSSEN PHARMACEUTICA NV (BE) | 2014-08-07 | — | — | US | claimed |
| US-20140066412-A1 | HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE | JANSSEN PHARMACEUTICA NV (BE) | 2014-03-06 | — | — | US | claimed |
| US-20130245022-A1 | HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE | JANSSEN PHARMACEUTICA NV (US) | 2013-09-19 | — | — | US | claimed |
| US-8461159-B2 | Heteroaryl-substituted urea modulators of fatty acid amide hydrolase | Jannsen Pharmaceutica BV (BE) | 2013-06-11 | — | — | US | claimed |
| WO-2013059928-A1 | HIV PROTEASE INHIBITORS | MERCK CANADA INC. (CA) | 2013-05-02 | — | — | WO | claimed |
| US-20120083476-A1 | HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE | JANSSEN PHARMACEUTICA NV (BE) | 2012-04-05 | — | — | US | claimed |
| US-20110237596-A1 | HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE | JANSSEN PHARMACEUTICA NV (BE) | 2011-09-29 | — | — | US | claimed |
| US-20110230490-A1 | HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE | JANSSEN PHARMACEUTICA NV (BE) | 2011-09-22 | — | — | US | claimed |
| WO-2010068453-A1 | HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE | JANSSEN PHARMACEUTICA NV (BE) | 2010-06-17 | — | — | WO | claimed |
| EP-0023028-B1 | MIXTURES OF OPTICAL BRIGHTENERS AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-12-15 | — | — | EP | claimed |
| CN-114555603-A | Improved synthesis for the preparation of (2H-1,2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators | 詹森药业有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-114555603-A | Improved synthesis for the preparation of (2H-1,2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators | 詹森药业有限公司 | 2022-05-27 | — | — | CN | disclosed |
| WO-2021006267-A1 | SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE | グリーン・テック株式会社 | 2021-01-14 | — | — | WO | disclosed |
| EP-0884311-A2 | Triazole Derivatives and their production | Takeda Chemical Industries, Ltd. (JP) | 1998-12-16 | — | — | EP | disclosed |
| EP-0821670-A1 | N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS | Novartis AG (CH) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033170-A1 | N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS | NOVARITS AG (CH) | 1996-10-24 | — | — | WO | disclosed |