⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1047298 | 0.84 | — | — | |
| SCHEMBL157487 | 0.77 | — | — | |
| SCHEMBL65742 | 0.75 | — | — | |
| SCHEMBL1005748 | 0.74 | — | — | |
| SCHEMBL5234413 | 0.72 | — | — | |
| SCHEMBL9226114 | 0.72 | — | — | |
| SCHEMBL28773680 | 0.72 | — | — | |
| SCHEMBL7836754 | 0.72 | PARP1 (0.43) | — | |
| SCHEMBL1005311 | 0.72 | — | — | |
| SCHEMBL9098417 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4430467-A | 2,3-DIMETHYL-2,3-DIPHENYLBUTANE, HALOGENATED BISIMIDE | SAYTECH, INC. (US) | 1984-02-07 | — | — | US | disclosed |
| EP-0023420-A1 | Process for preparing N,N'-(1,2-ethylene)-bis-tetrabromophthalimide | ETHYL CORPORATION (US) | 1981-02-04 | — | — | EP | disclosed |