⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30130662 | 0.73 | — | — | |
| SCHEMBL3932329 | 0.71 | — | — | |
| SCHEMBL15482820 | 0.70 | SMN1; SMN2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL5311514 | 0.69 | TGM2 (0.33) | — | |
| SCHEMBL15048669 | 0.68 | L3MBTL1 (0.55) | — | |
| SCHEMBL1755617 | 0.68 | L3MBTL1 (0.55) | — | |
| SCHEMBL15048668 | 0.68 | L3MBTL1 (0.55) | — | |
| SCHEMBL14619698 | 0.68 | RAB9A (0.50) | — | |
| SCHEMBL7122826 | 0.67 | — | — | |
| SCHEMBL15482461 | 0.67 | RAB9A (0.38) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220073899-A1 | REAGENTS AND METHODS FOR ESTERIFICATION | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2022-03-10 | — | — | US | disclosed |
| 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 |