⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11066103 | 0.86 | ALDH1A1 (0.43) | — | |
| SCHEMBL3842782 | 0.78 | ACE (0.31) | — | |
| SCHEMBL1826200 | 0.77 | — | — | |
| SCHEMBL14489602 | 0.77 | — | — | |
| SCHEMBL87124 | 0.77 | — | — | |
| SCHEMBL1201008 | 0.76 | — | — | |
| SCHEMBL483089 | 0.76 | ACE (0.35) | — | |
| SCHEMBL3166704 | 0.75 | THRB (0.31) | — | |
| SCHEMBL328921 | 0.75 | THRB (0.31) | — | |
| Acetone SCHEMBL9650262 | 0.74 | MIF (0.36) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9636298-B2 | Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs | METHYLGENE INC (CA) | 2017-05-02 | — | — | US | disclosed |
| US-20150203517-A1 | Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs | METHYLGENE INC (CA) | 2015-07-23 | — | — | US | disclosed |
| US-20150093639-A1 | LITHIUM ION BATTERY ELECTRODES | GM Global Technology Operations LLC | 2015-04-02 | — | — | US | disclosed |
| US-20150093626-A1 | LITHIUM ION BATTERY SEPARATORS AND ELECTRODES | GM Global Technology Operations LLC | 2015-04-02 | — | — | US | disclosed |
| US-5698526-A | ANTICHOLESTEROL AGENT | PFIZER INC. (US) | 1997-12-16 | — | — | US | disclosed |
| EP-0737203-A1 | STEROIDAL GLYCOSIDES | PFIZER INC. (US) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995018144-A1 | STEROIDAL GLYCOSIDES | PFIZER INC. (US) | 1995-07-06 | — | — | WO | disclosed |
| US-4349552-A | TREATMENT OF CANCER | FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) | 1982-09-14 | — | — | US | disclosed |
| EP-0010941-B1 | 5-FLUOROURACIL DERIVATIVES, PREPARATION THEREOF AND THEIR PHARMACEUTICAL COMPOSITIONS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1982-05-12 | — | — | EP | disclosed |
| EP-0010941-A1 | 5-Fluorouracil derivatives, preparation thereof and their pharmaceutical compositions | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-05-14 | — | — | EP | disclosed |
| US-3950432-A | Di- and tetra-(peroxy)ketals and acetals and improved curing and polymerizing process employing same | PENNWALT CORPORATION (US) | 1976-04-13 | — | — | US | disclosed |