⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24083670 | 1.00 | — | — | |
| SCHEMBL10810758 | 0.86 | TSHR (0.43) | — | |
| SCHEMBL35490 | 0.81 | — | — | |
| Water SCHEMBL28240439 | 0.81 | GABRP (0.50) | — | |
| SCHEMBL18977900 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL4448500 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL7043007 | 0.79 | GABRP (0.48) | — | |
| SCHEMBL5050240 | 0.79 | GABRP (0.48) | — | |
| SCHEMBL30725511 | 0.79 | GABRP (0.48) | — | |
| SCHEMBL17389299 | 0.79 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5334721-A | Reacting a methyl ketone and an alpha,beta-unsaturated nitrile in the presence of a basic catalyst; preparation of a 2-methyl-3,5-dialkylpyridine; cyclization; dehydrogenation | STAMICARBON B.V. (NL) | 1994-08-02 | — | — | US | claimed |
| US-20230372915-A1 | MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2023-11-23 | — | — | US | disclosed |
| US-20230372915-A1 | MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2023-11-23 | — | — | US | disclosed |
| US-11731116-B2 | Manganese based complexes and uses thereof for homogeneous catalysis | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2023-08-22 | — | — | US | disclosed |
| US-11731116-B2 | Manganese based complexes and uses thereof for homogeneous catalysis | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2023-08-22 | — | — | US | disclosed |
| US-20180141912-A1 | VERSATILE RAFT AGENT | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2018-05-24 | — | — | US | disclosed |
| WO-2017137984-A1 | MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2017-08-17 | — | — | WO | disclosed |
| US-20070087447-A1 | System and method of free radical initiated protein sequencing | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2007-04-19 | — | — | US | disclosed |
| US-6219622-B1 | Computational method for designing chemical structures having common functional characteristics | UNIVERSITY OF GUELPH (CA) | 2001-04-17 | — | — | US | disclosed |
| EP-0888591-A1 | COMPUTATIONAL METHOD FOR DESIGNING CHEMICAL STRUCTURES HAVING COMMON FUNCTIONAL CHARACTERISTICS | UNIVERSITY OF GUELPH (CA) | 1999-01-07 | — | — | EP | disclosed |
| US-5699268-A | Computational method for designing chemical structures having common functional characteristics | UNIVERSITY OF GUELPH (CA) | 1997-12-16 | — | — | US | disclosed |
| WO-1997036252-A1 | COMPUTATIONAL METHOD FOR DESIGNING CHEMICAL STRUCTURES HAVING COMMON FUNCTIONAL CHARACTERISTICS | UNIVERSITY OF GUELPH (CA) | 1997-10-02 | — | — | WO | disclosed |
| EP-0437290-A1 | Process for the preparation of 5-oxohexane nitriles and the compound 2,4-dimethyl-5-oxohexane nitrile | DSM N.V. (NL) | 1991-07-17 | — | — | EP | disclosed |