⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11222116 | 0.89 | — | — | |
| SCHEMBL11430026 | 0.85 | — | — | |
| SCHEMBL11076595 | 0.85 | — | — | |
| SCHEMBL14703092 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL8096516 | 0.83 | — | — | |
| SCHEMBL17117091 | 0.83 | — | — | |
| SCHEMBL3337943 | 0.79 | — | — | |
| SCHEMBL15005558 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL5702380 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL539979 | 0.77 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113851655-A | Negative pole piece and lithium ion battery comprising same | 珠海冠宇电池股份有限公司 | 2021-12-28 | — | — | CN | disclosed |
| EP-2135275-B1 | AMINE-ARRESTING ADDITIVES FOR MATERIALS USED IN PHOTOLITHOGRAPHIC PROCESSES | BREWER SCIENCE INC (US) | 2016-06-01 | — | — | EP | disclosed |
| US-8198311-B2 | Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-12 | — | — | US | disclosed |
| US-8198311-B2 | Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-12 | — | — | US | disclosed |
| US-20100075961-A1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2010-03-25 | — | — | US | disclosed |
| US-20100075961-A1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2010-03-25 | — | — | US | disclosed |
| WO-2008057857-A1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-&kappav;B ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | disclosed |
| US-4344891-A | Halogenated tertiary alkyl isocyanates and their preparation | BASF AKTIENGESELLSCHAFT (DE) | 1982-08-17 | — | — | US | disclosed |