⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24722730 | 0.86 | PIK3CG (0.31) | — | |
| SCHEMBL24722618 | 0.80 | HPGD (0.33) | — | |
| SCHEMBL24722685 | 0.73 | MAP3K11 (0.31) | — | |
| SCHEMBL22900729 | 0.73 | NNMT (0.34) | — | |
| SCHEMBL24722686 | 0.70 | — | — | |
| SCHEMBL21366374 | 0.69 | NNMT (0.33) | — | |
| SCHEMBL24722620 | 0.69 | DDB1 (0.35) | — | |
| SCHEMBL22900720 | 0.68 | NNMT (0.36) | — | |
| SCHEMBL4569786 | 0.68 | ABL1 (0.54) | — | |
| SCHEMBL16941385 | 0.66 | CHEK1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022187329-A1 | FABI INHIBITORS FOR GRAM-NEGATIVE PATHOGENS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2022-09-09 | — | — | WO | disclosed |