⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1687074 | 0.78 | — | — | |
| SCHEMBL978667 | 0.75 | NOS2 (0.36) | — | |
| SCHEMBL508592 | 0.74 | — | — | |
| SCHEMBL11667969 | 0.74 | HIF1A (0.38) | — | |
| SCHEMBL6677747 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL6633239 | 0.70 | MEN1 (0.43) | — | |
| SCHEMBL31470628 | 0.70 | ALOX15 (0.43) | — | |
| SCHEMBL31629008 | 0.69 | ALDH1A1 (0.51) | — | |
| SCHEMBL381885 | 0.68 | — | — | |
| SCHEMBL782969 | 0.68 | MEN1 (0.37) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3245668-B1 | CLEANING COMPOSITION AND METHOD FOR CLEANING SEMICONDUCTOR WAFERS AFTER CMP | CMC MAT INC (US) | 2021-06-30 | — | — | EP | claimed |
| EP-0180115-A3 | 1,2,4-TRIAZOLYL CARBAMATES AND THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND MEDICINES | BOEHRINGER INGELHEIM KG (DE) | 1987-01-21 | — | — | EP | disclosed |
| EP-0180115-A2 | 1,2,4-Triazolyl carbamates and their acid addition salts, process for their preparation and medicines | BOEHRINGER INGELHEIM KG (DE) | 1986-05-07 | — | — | EP | disclosed |
| EP-0027189-B1 | 2.5-DIKETOPIPERAZINE-DERIVATIVE, PROCESS FOR ITS PREPARATION AND ITS USE | BAYER AG (DE) | 1984-02-22 | — | — | EP | disclosed |
| EP-0027189-A1 | 2.5-Diketopiperazine-derivative, process for its preparation and its use | BAYER AG (DE) | 1981-04-22 | — | — | EP | disclosed |
| EP-0027189-A1 | 2.5-Diketopiperazine-derivative, process for its preparation and its use | BAYER AG (DE) | 1981-04-22 | — | — | EP | disclosed |