⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9716208 | 0.81 | GPR84 (0.32) | — | |
| SCHEMBL11071521 | 0.77 | — | — | |
| SCHEMBL601015 | 0.77 | — | — | |
| SCHEMBL6270076 | 0.77 | — | — | |
| SCHEMBL600108 | 0.77 | — | — | |
| SCHEMBL9939187 | 0.77 | — | — | |
| SCHEMBL13678716 | 0.75 | GPR84 (0.33) | — | |
| SCHEMBL600123 | 0.74 | — | — | |
| SCHEMBL12132102 | 0.74 | CCR9 (0.35) | — | |
| SCHEMBL15923138 | 0.74 | ALDH1A1 (0.32) | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2865446-B1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL | KANTO KAGAKU (JP) | 2021-09-22 | — | — | EP | disclosed |
| US-9936700-B2 | Substituted quinoxaline derivatives as pest control agent | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-04-10 | — | — | US | disclosed |
| US-20170362213-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & COMPANHIA, S.A. (PT) | 2017-12-21 | — | — | US | disclosed |
| EP-2789606-B1 | Modulators of CFTR | VERTEX PHARMA (US) | 2017-11-15 | — | — | EP | disclosed |
| EP-2789606-B1 | Modulators of CFTR | VERTEX PHARMA (US) | 2017-11-15 | — | — | EP | disclosed |
| US-9725440-B2 | Modulators of CFTR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-08-08 | — | — | US | disclosed |
| US-9725440-B2 | Modulators of CFTR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-08-08 | — | — | US | disclosed |
| US-20170095458-A1 | HETEROARYL SULFONAMIDES AND CCR2/CCR9 | CHEMOCENTRYX, INC. (US) | 2017-04-06 | — | — | US | disclosed |
| US-9550759-B2 | Nitrocatechol derivatives as COMT inhibitors | BIAL—PORTELA & CA, S.A. (PT) | 2017-01-24 | — | — | US | disclosed |
| CN-105936823-A | Composite for etching treatment and etching treatment method | 大金工业株式会社 | 2016-09-14 | — | — | CN | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |
| WO-2006035967-A1 | PYRIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR TREATING DISEASES RELATED TO MCH RECEPTOR | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2006-04-06 | — | — | WO | disclosed |
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | disclosed |
| CN-1284064-A | 2,3-substituted indole compounds as cox-2 inhibitors | PFIZER PHARMA (US) | 2001-02-14 | — | — | CN | disclosed |
| EP-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | disclosed |
| US-4746736-A | THIENAMYCINS, BACTERICIDES | BRISTOL-MYERS COMPANY (US) | 1988-05-24 | — | — | US | disclosed |
| US-4732977-A | BACTERICIDES | BRISTOL MYERS COMPANY (US) | 1988-03-22 | — | — | US | disclosed |
| US-4644061-A | Carbapenem antibiotics | BRISTOL-MYERS COMPANY (US) | 1987-02-17 | — | — | US | disclosed |