⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2118584 | 1.00 | — | — | |
| Trimethylammonium SCHEMBL27467322 | 0.94 | ALDH1A1 (0.33) | — | |
| SCHEMBL21870597 | 0.93 | — | — | |
| SCHEMBL3401259 | 0.93 | — | — | |
| Bicarbonate SCHEMBL28006850 | 0.90 | ALDH1A1 (0.38) | — | |
| SCHEMBL10866756 | 0.82 | — | — | |
| SCHEMBL11654259 | 0.82 | LMNA (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL28696146 | 0.80 | LMNA (0.37) | — | |
| SCHEMBL27552046 | 0.79 | S1PR1 (0.41) | — | |
| SCHEMBL17517004 | 0.77 | S1PR1 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022266330-A1 | COMPOUNDS THAT SYNERGIZE WITH COPPER TO KILL STREPTOCOCCUS PNEUMONIAE | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2022-12-22 | — | — | WO | disclosed |
| US-10695346-B2 | 4,6-pyrimidinylene derivatives and uses thereof | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-06-30 | — | — | US | disclosed |
| US-20180110778-A1 | 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-04-26 | — | — | US | disclosed |