⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8282676 | 0.79 | TRPA1 (0.48) | — | |
| SCHEMBL338836 | 0.77 | TSHR (0.53) | — | |
| O-Xylene SCHEMBL931223 | 0.76 | TSHR (0.71) | — | |
| SCHEMBL764889 | 0.74 | — | — | |
| SCHEMBL28791744 | 0.72 | — | — | |
| SCHEMBL17696915 | 0.72 | — | — | |
| SCHEMBL28994176 | 0.70 | TSHR (0.45) | — | |
| SCHEMBL471457 | 0.69 | — | — | |
| SCHEMBL12911368 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL1556658 | 0.69 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1140947-A1 | METHOD FOR PRODUCING MONO-ORGANOBORANES OR DI-ORGANOBORANES | Basell Polyolefine GmbH (DE) | 2001-10-10 | — | — | EP | claimed |
| WO-2000037476-A1 | METHOD FOR PRODUCING MONO-ORGANOBORANES OR DI-ORGANOBORANES | BASELL POLYOLEFINE GMBH (DE) | 2000-06-29 | — | — | WO | claimed |
| US-20230181462-A1 | Dynamic Covalent Hydrogels, Precursors Thereof and Uses Thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2023-06-15 | — | — | US | disclosed |
| EP-4118136-A1 | DYNAMIC COVALENT HYDROGELS, PRECURSORS THEREOF AND USES THEREOF | Centre National de la Recherche Scientifique (CNRS) (FR) | 2023-01-18 | — | — | EP | disclosed |
| WO-2021180795-A1 | DYNAMIC COVALENT HYDROGELS, PRECURSORS THEREOF AND USES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) | 2021-09-16 | — | — | WO | disclosed |
| EP-3878891-A1 | DYNAMIC COVALENT HYDROGELS, PRECURSORS THEREOF AND USES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS- (FR) | 2021-09-15 | — | — | EP | disclosed |
| WO-2019195278-A1 | ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF | SILVERBACK THERAPEUTICS, INC. (US) | 2019-10-10 | — | — | WO | disclosed |
| WO-2012033735-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |
| US-6417302-B1 | REACTION PRODUCT OF DI(PENTAFLUOROPHENYL) BORINIC ACID AND ORGANOALUMINUM COMPOUND; OLEFIN POLYMERIZATION COORDINATION CATALYSTS | BASELL POLYOLEFINE GMBH (DE) | 2002-07-09 | — | — | US | disclosed |