⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25530718 | 0.82 | CRHBP (0.31) | — | |
| SCHEMBL35211321 | 0.67 | CRHBP (0.33) | — | |
| SCHEMBL35211323 | 0.67 | CRHBP (0.33) | — | |
| SCHEMBL25532820 | 0.66 | CRHBP (0.32) | — | |
| SCHEMBL23995705 | 0.61 | CRHBP (0.34) | — | |
| SCHEMBL4583356 | 0.59 | CRHBP (0.47) | — | |
| SCHEMBL22693498 | 0.57 | S1PR2 (0.32) | — | |
| SCHEMBL19504942 | 0.56 | — | — | |
| SCHEMBL23557996 | 0.56 | HTR1D (0.33) | — | |
| SCHEMBL25530708 | 0.56 | GRIN2D (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230159491-A1 | Antimicrobial Compounds and Methods | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2023-05-25 | — | — | US | disclosed |