⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16572716 | 1.00 | — | — | |
| SCHEMBL8852527 | 0.80 | — | — | |
| SCHEMBL18642894 | 0.79 | LMNA (0.40) | — | |
| SCHEMBL1801592 | 0.78 | — | — | |
| SCHEMBL17970666 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL6226162 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL9499109 | 0.76 | — | — | |
| SCHEMBL13716507 | 0.76 | — | — | |
| SCHEMBL22562779 | 0.75 | EPHX2 (0.31) | — | |
| SCHEMBL20033390 | 0.75 | MCHR1 (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4069388-A | Preparation of oxalate esters from carbon monoxide and an alkoxycycloalkene | ATLANTIC RICHFIELD COMPANY (US) | 1978-01-17 | — | — | US | claimed |
| EP-3935954-A1 | APPLICATION OF ?-QUATERNARY AMMONIUM BUTYRATE COMPOUND IN PREPARATION OF ANIMAL FEED ADDITIVE | Peng, Xianfeng (CN) | 2022-01-12 | — | — | EP | disclosed |
| US-8080576-B2 | Compounds for enzyme inhibition | ONYX THERAPEUTICS, INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20100144649-A1 | COMPOUNDS FOR ENZYME INHIBITION | ONYX THERAPEUTICS, INC. (US) | 2010-06-10 | — | — | US | disclosed |
| WO-2009089042-A1 | PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARMACEUTICALS, LLC (US) | 2009-07-16 | — | — | WO | disclosed |
| EP-0272110-B1 | ERYTHROMYCIN A DERIVATIVES AND METHOD FOR THE PREPARATION OF THE SAME | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1993-04-07 | — | — | EP | disclosed |
| US-4990602-A | Bactericides | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 1991-02-05 | — | — | US | disclosed |
| EP-0272110-A2 | Erythromycin a derivatives and method for the preparation of the same | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1988-06-22 | — | — | EP | disclosed |
| US-4236023-A | Preparation of unsaturated monoesters by the catalytic oxidative carbonylation of diolefins with an enol ether or 1-alkoxycycloalkene | ATLANTIC RICHFIELD COMPANY (US) | 1980-11-25 | — | — | US | disclosed |
| US-4166913-A | COMPOUNDS OF PLATINUM GROUP AND OF COPPER OR IRON AS CATALYSTS | ATLANTIC RICHFIELD COMPANY (US) | 1979-09-04 | — | — | US | disclosed |
| US-4069388-A | Preparation of oxalate esters from carbon monoxide and an alkoxycycloalkene | ATLANTIC RICHFIELD COMPANY (US) | 1978-01-17 | — | — | US | disclosed |