⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3461980 | 1.00 | — | — | |
| SCHEMBL28988479 | 0.74 | — | — | |
| SCHEMBL1305942 | 0.73 | — | — | |
| SCHEMBL1306498 | 0.73 | — | — | |
| SCHEMBL1306501 | 0.73 | — | — | |
| SCHEMBL6142647 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL8719931 | 0.72 | — | — | |
| SCHEMBL11150824 | 0.72 | TRPV4 (0.34) | — | |
| SCHEMBL28877729 | 0.72 | TRPA1 (0.38) | — | |
| SCHEMBL6142645 | 0.72 | TSHR (0.34) | — |
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-117642899-A | Liquid electrolyte composition and electrochemical cell having the same | 宝马股份公司 | 2024-03-01 | — | — | CN | disclosed |
| US-20200246509-A1 | IMPLANTS HAVING A HIGH DRUG LOAD OF AN OXYSTEROL AND METHODS OF USE | WARSAW ORTHOPEDIC INC (US) | 2020-08-06 | — | — | US | disclosed |
| EP-2226632-B1 | METHOD FOR SCREENING OF CELL-PROTECTING AGENT | TAKEDA PHARMACEUTICAL (JP) | 2014-02-12 | — | — | EP | disclosed |
| EP-2652552-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | Transitions Optical, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| US-8450070-B2 | Method for screening of cell-protecting agent | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-28 | — | — | US | disclosed |
| WO-2012082299-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | TRANSITIONS OPTICAL, INC. (US) | 2012-06-21 | — | — | WO | disclosed |
| US-20100279311-A1 | METHOD FOR SCREENING OF CELL-PROTECTING AGENT | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-11-04 | — | — | US | disclosed |
| EP-2226632-A1 | METHOD FOR SCREENING OF CELL-PROTECTING AGENT | Takeda Pharmaceutical Company Limited (JP) | 2010-09-08 | — | — | EP | disclosed |