⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30899713 | 0.80 | — | — | |
| SCHEMBL9755516 | 0.75 | — | — | |
| SCHEMBL274532 | 0.75 | — | — | |
| Cyclopropane SCHEMBL8506514 | 0.67 | — | — | |
| SCHEMBL1483936 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL1483933 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL1481548 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL3943761 | 0.65 | — | — | |
| SCHEMBL20146999 | 0.62 | — | — | |
| SCHEMBL2140356 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114605224-A | 1,1,2,2,3,3, 4-heptafluorocyclopentane and preparation method and application thereof | 国网湖南省电力有限公司 | 2022-06-10 | — | — | CN | disclosed |
| US-8536205-B2 | Photochromic and electrochromic compounds and synthesis and use thereof | SWITCH MATERIALS INC. (CA) | 2013-09-17 | — | — | US | disclosed |
| US-20100190868-A1 | PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF | SWITCH MATERIALS INC. (CA) | 2010-07-29 | — | — | US | disclosed |
| EP-1888553-A1 | PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF | Switch Materials Inc. (CA) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006125317-A1 | PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF | SWITCH MATERIALS INC. (CA) | 2006-11-30 | — | — | WO | disclosed |