⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28918387 | 0.89 | RAPGEF4 (0.41) | — | |
| SCHEMBL91512 | 0.78 | — | — | |
| SCHEMBL13923496 | 0.78 | — | — | |
| SCHEMBL13871115 | 0.78 | — | — | |
| SCHEMBL12156 | 0.78 | — | — | |
| SCHEMBL5044874 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28612638 | 0.76 | RAPGEF4 (0.48) | — | |
| Phosphine SCHEMBL27747999 | 0.76 | ALDH1A1 (0.44) | — | |
| Water SCHEMBL28455457 | 0.76 | ALDH1A1 (0.44) | — | |
| Bromide SCHEMBL28216885 | 0.76 | ALDH1A1 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230201227-A1 | COMBINATION THERAPY FOR CANCER TREATMENT | TAKEDA PHARMACEUTICALS CO (JP) | 2023-06-29 | — | — | US | disclosed |
| WO-2017155844-A1 | HEPATITIS B ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |
| EP-1848430-B1 | NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS | Dr Reddys Laboratories Ltd (IN) | 2017-08-02 | — | — | EP | disclosed |
| WO-2011055215-A2 | NOVEL KINASE MODULATORS | INCOZEN THERAPEUTICS PVT. LTD. (IN) | 2011-05-12 | — | — | WO | disclosed |