⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1703156 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL1702828 | 0.79 | LCK (0.38) | — | |
| SCHEMBL1703855 | 0.78 | — | — | |
| SCHEMBL1703599 | 0.77 | LCK (0.46) | — | |
| SCHEMBL3780560 | 0.76 | LCK (0.48) | — | |
| SCHEMBL1703313 | 0.76 | LCK (0.48) | — | |
| SCHEMBL14445163 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL9285137 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL6341155 | 0.73 | — | — | |
| SCHEMBL1650676 | 0.73 | ALDH1A1 (0.42) | — |
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-20100317744-A1 | BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES | DDP SPECIALTY ELECTRONIC MATERIALS US, LLC. | 2010-12-16 | — | — | US | claimed |
| US-4820428-A | NITROALKANOL AND CELLULOSE ETHER BINDER, FOR SULPHATE REDUCING BACTERIA IN GAS AND OIL WELLS | OILFIELD SPECIALITY PRODUCTS MANUFACTURING LTD., OF CANADA (CA) | 1989-04-11 | — | — | US | claimed |
| US-8993638-B2 | Brominated nitroalkanol compositions and their use as biocides | DOW GLOBAL TECHNOLOGIES LLC (US) | 2015-03-31 | — | — | US | disclosed |
| US-20100317744-A1 | BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES | DDP SPECIALTY ELECTRONIC MATERIALS US, LLC. | 2010-12-16 | — | — | US | disclosed |
| US-5144087-A | PROCESS FOR THE PREPARATION OF DIBROMONITRO-ALCOHOLS AND BLENDS WITH DIBROMONITRO-ALCOHOLS | GREAT LAKES CHEMICAL CORP. (US) | 1992-09-01 | — | — | US | disclosed |
| WO-1992011229-A1 | PROCESS FOR THE PREPARATION OF BROMONITRO-ALCOHOLS, DIBROMONITRO-ALCOHOLS AND BLENDS THEREOF | GREAT LAKES CHEMICAL CORPORATION (US) | 1992-07-09 | — | — | WO | disclosed |
| US-5075510-A | Reacting bromonitromethane with aldehyde in aqueous acidic sol ution | GREAT LAKES CHEMICAL CORPORATION (US) | 1991-12-24 | — | — | US | disclosed |
| US-4820428-A | NITROALKANOL AND CELLULOSE ETHER BINDER, FOR SULPHATE REDUCING BACTERIA IN GAS AND OIL WELLS | OILFIELD SPECIALITY PRODUCTS MANUFACTURING LTD., OF CANADA (CA) | 1989-04-11 | — | — | US | disclosed |
| US-4576625-A | BROMO-INTRO COMPOUNDS | HULS AKTIENGESELLSCHAFT (DE) | 1986-03-18 | — | — | US | disclosed |