⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14116702 | 1.00 | — | — | |
| Butanone SCHEMBL16540411 | 0.86 | ALDH1A1 (0.53) | — | |
| SCHEMBL28330534 | 0.81 | LMNA (0.42) | — | |
| SCHEMBL58897 | 0.81 | LMNA (0.42) | — | |
| SCHEMBL14366518 | 0.81 | LMNA (0.42) | — | |
| SCHEMBL13703412 | 0.80 | TP53 (0.35) | — | |
| SCHEMBL8928019 | 0.79 | — | — | |
| SCHEMBL109374 | 0.79 | — | — | |
| SCHEMBL8278954 | 0.79 | — | — | |
| SCHEMBL3729926 | 0.78 | TP53 (0.33) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473484-B | Compounds useful as TRPM8 modulators | 弗门尼舍公司 | 2021-06-29 | — | — | CN | disclosed |
| CN-108473484-A | Compounds useful as TRPM8 modulators | 赛诺米克斯公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-108139505-A | Antistatic hard coat film, polarizer, touch panel, Liquid crystal disply device and its preparation method | 日本瑞翁株式会社 | 2018-06-08 | — | — | CN | disclosed |
| EP-2096164-A1 | MICROORGANISM CAPABLE OF PRODUCING DEOXY POLYOL DEHYDROGENASE AND UTILIZATION OF THE SAME | National University Corporation Kagawa University (JP) | 2009-09-02 | — | — | EP | disclosed |
| US-20090124506-A1 | Membrane computing | TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) | 2009-05-14 | — | — | US | disclosed |
| EP-0593425-B1 | OXIDIC HETEROGENEOUS CATALYSTS OF OSMIUM, METHOD FOR MANUFACTURING THEM AND THEIR USE IN CONVERTING OLEFINIC COMPOUNDS INTO GLYCOLS | HOECHST AG (DE) | 1994-12-28 | — | — | EP | disclosed |
| US-4785012-A | OXAZOLE DERIVATIVES CONTAINING ALCOHOLS OR ESTERS | SYNTEX CORPORATION (US) | 1988-11-15 | — | — | US | disclosed |
| US-4285866-A | SUITABLE POT LIFE FOR BLENDING PRIOR TO MOLDING | ARGUS CHEMICAL CORPORATION (US) | 1981-08-25 | — | — | US | disclosed |
| US-4271279-A | Cyclic perketals and their use for cross-linking high density polyethylene | ARGUS CHEMICAL CORPORATION (US) | 1981-06-02 | — | — | US | disclosed |
| US-4267109-A | SAID PERKETALS CONTAINING EITHER A KETONE OR A SECONDARY N-PHENYL AMIDE FUNCTIONAL GROUP | ARGUS CHEMICAL CORPORATION (US) | 1981-05-12 | — | — | US | disclosed |
| US-4197244-A | Cyclic perketals and their use for cross-linking high density polyethylene | ARGUS CHEMICAL CORPORATION (US) | 1980-04-08 | — | — | US | disclosed |
| US-3957745-A | FLAVORING AND FRAGRANCE COMPOSITIONS | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1976-05-18 | — | — | US | disclosed |