⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1928265 | 0.79 | — | — | |
| SCHEMBL11746006 | 0.76 | CA12 (0.42) | — | |
| SCHEMBL254386 | 0.76 | CA12 (0.42) | — | |
| SCHEMBL11548381 | 0.76 | CA12 (0.42) | — | |
| SCHEMBL8354298 | 0.76 | CA12 (0.42) | — | |
| SCHEMBL942938 | 0.76 | CA12 (0.42) | — | |
| SCHEMBL2290500 | 0.76 | CA12 (0.42) | — | |
| SCHEMBL11548379 | 0.76 | CA12 (0.42) | — | |
| SCHEMBL7354410 | 0.75 | CHRM2 (0.33) | — | |
| SCHEMBL1930310 | 0.74 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0178743-B1 | NOVEL TRITIUM LABELLED N-MUSTARD TYPE COMPOUNDS AND A PROCESS FOR THEIR PRODUCTION | UNIVERSITY OF PITTSBURGH (US) | 1990-05-23 | — | — | EP | claimed |
| US-4795627-A | AZIRIDINIUM ANALOG USED TO EVALUATE THE MECHANISM OF NEUROTRANSMITTER REGULATION | UNIVERSITY OF PITTSBURGH (US) | 1989-01-03 | — | — | US | claimed |
| EP-0178743-A2 | Novel tritium labelled N-mustard type compounds and a process for their production | UNIVERSITY OF PITTSBURGH (US) | 1986-04-23 | — | — | EP | claimed |
| CN-115052856-A | 3-alkoxybenzamide derivative and pest control agent | 组合化学工业株式会社 | 2022-09-13 | — | — | CN | disclosed |
| WO-2021153720-A1 | 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT | クミアイ化学工業株式会社 | 2021-08-05 | — | — | WO | disclosed |
| EP-0178743-B1 | NOVEL TRITIUM LABELLED N-MUSTARD TYPE COMPOUNDS AND A PROCESS FOR THEIR PRODUCTION | UNIVERSITY OF PITTSBURGH (US) | 1990-05-23 | — | — | EP | disclosed |
| US-4795627-A | AZIRIDINIUM ANALOG USED TO EVALUATE THE MECHANISM OF NEUROTRANSMITTER REGULATION | UNIVERSITY OF PITTSBURGH (US) | 1989-01-03 | — | — | US | disclosed |
| EP-0178743-A2 | Novel tritium labelled N-mustard type compounds and a process for their production | UNIVERSITY OF PITTSBURGH (US) | 1986-04-23 | — | — | EP | disclosed |