⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7750646 | 1.00 | — | — | |
| SCHEMBL787918 | 0.85 | CHRM2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL4573925 | 0.83 | CHRM2 (0.38) | — | |
| SCHEMBL3910663 | 0.83 | SCN10A (0.33) | — | |
| SCHEMBL551606 | 0.79 | CHRNB2 (0.43) | — | |
| SCHEMBL978739 | 0.78 | MEN1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL19259428 | 0.78 | CHRNB2 (0.42) | — | |
| SCHEMBL7253977 | 0.77 | NOS3 (0.31) | — | |
| SCHEMBL11131656 | 0.76 | HTR2C (0.38) | — | |
| SCHEMBL26126165 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2882738-B1 | NEW ANTIBACTERIAL COMPOUNDS | JANSSEN SCIENCES IRELAND UC (IE) | 2017-05-31 | — | — | EP | disclosed |