⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30170231 | 1.00 | — | — | |
| SCHEMBL6380221 | 0.97 | ALDH1A1 (0.42) | — | |
| Iodide SCHEMBL1478059 | 0.94 | ALDH1A1 (0.40) | — | |
| Iodide SCHEMBL1478057 | 0.94 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL28207157 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL11290734 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL11335436 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL11288648 | 0.79 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL11288423 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL8872262 | 0.78 | CYP3A4 (0.34) | — |
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
Appears in 2596 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115073296-A | Method and device for rapidly detecting propylene glycol in food | 深圳市易瑞生物技术股份有限公司 | 2022-09-20 | — | — | CN | claimed |
| EP-3517105-B1 | TRANSDERMAL ADHESIVE COMPOSITIONS, DEVICES, AND METHODS | 3M INNOVATIVE PROPERTIES CO (US) | 2021-04-28 | — | — | EP | claimed |
| CN-107602559-B | A method of the asymmetric ciprofloxacin eye drops synthesis of chiral ternary carbocyclic nucleoside caused by Michael's addition | 河南师范大学 | 2019-10-18 | — | — | CN | claimed |
| EP-2596071-B1 | TRANSDERMAL ADHESIVE COMPOSITIONS, DEVICES, AND METHODS | 3M INNOVATIVE PROPERTIES CO (US) | 2019-02-13 | — | — | EP | claimed |
| EP-2651965-B1 | CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 | CONTRAVIR PHARMACEUTICALS INC (US) | 2018-12-12 | — | — | EP | claimed |
| EP-2537834-B1 | POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR | KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) | 2018-09-05 | — | — | EP | claimed |
| CN-107793415-A | The synthetic method of Zolpidemtar Trate impurity | 湖南省食品药品检验研究院 | 2018-03-13 | — | — | CN | claimed |
| CN-107602559-A | A kind of method of the asymmetric ciprofloxacin eye drops synthesis of chiral ternary carbocyclic nucleoside triggered by Michael's addition | 河南师范大学 | 2018-01-19 | — | — | CN | claimed |
| CN-103965047-B | The preparation method of 3,3,3-trifluoroacetic acid and ester thereof | XI'AN INST. OF MODERN CHEMISTRY (CN) | 2015-10-28 | — | — | CN | claimed |
| US-9079867-B2 | Polyazamacrocyclic compound, and a production method and a biomedical use therefor | KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) | 2015-07-14 | — | — | US | claimed |
| EP-0824126-B1 | Preparation of carboxylic acid-containing polyether and biologically active substances derived thereof | ENZON INC (US) | 2003-06-25 | — | — | EP | claimed |
| US-20030060657-A1 | Process for the preparation of Aceclofenac | RUSSINSKY LIMITED | 2003-03-27 | — | — | US | claimed |
| EP-1157004-A1 | REGIOSELECTIVE SYNTHESIS OF DTPA DERIVATIVES | IDEC PHARMACEUTICALS CORPORATION (US) | 2001-11-28 | — | — | EP | claimed |
| US-6207858-B1 | ELIMINATES THE NEED FOR ION EXCHANGE CHROMOTOGRAPHIC SEPARATION OF INTERMEDIATES, USEFUL AS BI-FUNCTIONAL CHELATORS IN RADIOIMMUNOTHERAPY AND IMAGING, DIETHYLENETRIAMINEPENTAACETIC ACID (DTPA), SUITABLE FOR | IDEC PHARMACEUTICALS CORPORATION | 2001-03-27 | — | — | US | claimed |
| WO-2000051976-A1 | REGIOSELECTIVE SYNTHESIS OF DTPA DERIVATIVES | IDEC PHARMACEUTICALS CORPORATION (US) | 2000-09-08 | — | — | WO | claimed |
| EP-0667856-B1 | NOVEL VITAMIN D ANALOGUES | LEO PHARM PROD LTD (DK) | 1998-02-04 | — | — | EP | claimed |
| EP-0458551-B1 | Spiro-isoquinoline-pyrrolidines and analogs thereof useful as aldose reductase inhibitors | AMERICAN HOME PROD (US) | 1997-12-03 | — | — | EP | claimed |
| EP-0793643-A1 | MATRIX METALLOPROTEASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1997-09-10 | — | — | EP | claimed |
| WO-1996016027-A1 | MATRIX METALLOPROTEASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1996-05-30 | — | — | WO | claimed |
| EP-0365324-B1 | Spiro-isoquinoline-pyrrolidine tetrones and analogs thereof useful as aldose reductase inhibitors | AMERICAN HOME PROD (US) | 1994-05-04 | — | — | EP | claimed |