⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL27810861 | 0.95 | — | — | |
| Butane SCHEMBL8854297 | 0.86 | — | — | |
| Butane SCHEMBL19371508 | 0.86 | CA1 (0.55) | — | |
| Propane SCHEMBL27304070 | 0.84 | — | — | |
| Pentane SCHEMBL27505707 | 0.82 | — | — | |
| Propanol SCHEMBL28762423 | 0.82 | — | — | |
| Alcohol SCHEMBL27767751 | 0.80 | — | — | |
| Butane SCHEMBL7375120 | 0.80 | — | — | |
| Propylamine SCHEMBL28012633 | 0.79 | — | — | |
| SCHEMBL27857009 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101253235-A | Antimicrobial compositions | KIMBERLY CLARK CO (US) | 2008-08-27 | — | — | CN | claimed |
| CN-100431520-C | Skin care composition containing an anionic polymer | ONDEO NALCO CO (US) | 2008-11-12 | — | — | CN | disclosed |
| CN-101253235-A | Antimicrobial compositions | KIMBERLY CLARK CO (US) | 2008-08-27 | — | — | CN | disclosed |
| CN-100377758-C | Water soluble solvent vegenerating system and method | BEIJING JINWEIHUI ENGINEERING (CN) | 2008-04-02 | — | — | CN | disclosed |
| CN-1726002-A | Skin care compositions containing anionic polymers | ONDEO NALCO CO (US) | 2006-01-25 | — | — | CN | disclosed |
| CN-1608708-A | Water soluble solvent vegenerating system and method | BEIJING JINWEIHUI ENGINEERING (CN) | 2005-04-27 | — | — | CN | disclosed |
| CN-1072693-C | Stable liquid suspensions and method for analyzing same | CLARIANT FINANCE BVI LTD (VG) | 2001-10-10 | — | — | CN | disclosed |
| CN-1181406-A | Adhesive for bonding decorative melamine treated paper to particle board | PREMARK PWP HOLDINGS INC (US) | 1998-05-13 | — | — | CN | disclosed |
| CN-1160733-A | Stable liquid suspensions and method for analyzing same | CLARIANT FINANCE BVI LTD (GB) | 1997-10-01 | — | — | CN | disclosed |
| CN-1151745-A | Bidentate phosphine ligand | DSM NV (NL) | 1997-06-11 | — | — | CN | disclosed |