⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4637059 | 0.79 | — | — | |
| SCHEMBL4459980 | 0.69 | — | — | |
| SCHEMBL10659187 | 0.69 | CAMK2A (0.40) | — | |
| SCHEMBL21538188 | 0.65 | — | — | |
| Ethylene Glycol SCHEMBL2596297 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL5142630 | 0.64 | — | — | |
| SCHEMBL22099869 | 0.64 | — | — | |
| Bicarbonate SCHEMBL1260607 | 0.61 | — | — | |
| Glycolic Acid SCHEMBL9500232 | 0.61 | CA4 (0.50) | — | |
| SCHEMBL2063233 | 0.58 | — | — |
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-3898613-A1 | ANTICANCER COMPOUNDS | Pharma Mar S.A. (ES) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020127194-A1 | ANTICANCER COMPOUNDS | PHARMA MAR, S.A. (ES) | 2020-06-25 | — | — | WO | disclosed |
| US-5731423-A | OXIDATION | TRANSCELL TECHNOLOGIES, INC. (US) | 1998-03-24 | — | — | US | disclosed |
| WO-1997034867-A1 | PROCESS FOR PREPARING SULFOXIDES | TRANSCELL TECHNOLOGIES, INC. (US) | 1997-09-25 | — | — | WO | disclosed |
| EP-0583971-A1 | Piperidine derivatives | SANKYO COMPANY LIMITED (JP) | 1994-02-23 | — | — | EP | disclosed |
| US-4059627-A | HYDROGENATION OF CHLORINATED NITRO AROMATIC, NOBLE METAL CATALYST, THIOETHER | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-22 | — | — | US | disclosed |