⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21331604 | 0.75 | — | — | |
| SCHEMBL8854321 | 0.72 | NPC1 (0.37) | — | |
| SCHEMBL7074997 | 0.67 | — | — | |
| SCHEMBL5252475 | 0.67 | — | — | |
| SCHEMBL1577795 | 0.65 | CHRNB2 (0.48) | — | |
| SCHEMBL1577796 | 0.65 | CHRNB2 (0.48) | — | |
| SCHEMBL367403 | 0.65 | — | — | |
| SCHEMBL1700958 | 0.65 | CHRNB2 (0.48) | — | |
| SCHEMBL15834914 | 0.63 | ALDH1A1 (0.42) | — | |
| SCHEMBL3267512 | 0.63 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11180748-B2 | Reagents and methods for esterification | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2021-11-23 | — | — | US | disclosed |
| US-20200032238-A1 | Reagents and Methods for Esterification | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2020-01-30 | — | — | US | disclosed |
| US-10428323-B2 | Reagents and methods for esterification | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2019-10-01 | — | — | US | disclosed |
| US-20180037881-A1 | Reagents and Methods for Esterification | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2018-02-08 | — | — | US | disclosed |
| US-9790483-B2 | Reagents and methods for esterification | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2017-10-17 | — | — | US | disclosed |
| US-20160297752-A1 | REAGENTS AND METHODS FOR ESTERIFICATION | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-10-13 | — | — | US | disclosed |
| EP-1038866-B1 | Process for producing aziridine compound | DAICEL CHEM (JP) | 2003-11-12 | — | — | EP | disclosed |
| US-6323346-B1 | REACTING A DIAZOACETIC ACID DERIVATIVE OF THE FORMULA N.SUB.2 CHR.SUP.4 WITH A CARBONYL COMPOUND OF FORMULA R.SUP.1 R.SUP.2 C.DBD.O AND AN AMINO-GROUP-CONTAINING COMPOUND OF FORMULA R.SUP.3 NH.SUB.2 IN THE PRESENCE OF AN IRIDIUM COMPLEX | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-11-27 | — | — | US | disclosed |
| EP-1038866-A1 | Process for producing aziridine compound | Daicel Chemical Industries, Ltd. (JP) | 2000-09-27 | — | — | EP | disclosed |