⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16765764 | 0.86 | CDC25A (0.31) | — | |
| SCHEMBL16765763 | 0.83 | — | — | |
| SCHEMBL16766305 | 0.83 | — | — | |
| SCHEMBL16766287 | 0.81 | — | — | |
| SCHEMBL16766712 | 0.80 | CDC25A (0.35) | — | |
| SCHEMBL16766049 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL16766638 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL16766106 | 0.76 | — | — | |
| SCHEMBL16765878 | 0.75 | SLC18A2 (0.33) | — | |
| SCHEMBL16766406 | 0.75 | TDP1 (0.44) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104710283-B | Cyclopentanol compound | 国际香料和香精公司 | 2019-06-11 | — | — | CN | disclosed |
| US-9701925-B2 | Cyclopentanol compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2017-07-11 | — | — | US | disclosed |
| US-20160160152-A1 | NOVEL CYCLOPENTANOL COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2016-06-09 | — | — | US | disclosed |
| US-9290718-B2 | Cyclopentanol compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2016-03-22 | — | — | US | disclosed |
| EP-2902468-A2 | Novel cyclopentanol compounds | International Flavors & Fragrances Inc. (US) | 2015-08-05 | — | — | EP | disclosed |
| CN-104710283-A | Novel cyclopentanol compounds | INT FLAVORS & FRAGRANCES INC | 2015-06-17 | — | — | CN | disclosed |
| US-20150159118-A1 | NOVEL CYCLOPENTANOL COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2015-06-11 | — | — | US | disclosed |