⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1803265 | 0.79 | — | — | |
| SCHEMBL3981767 | 0.78 | CTH (0.37) | — | |
| SCHEMBL17028381 | 0.77 | — | — | |
| SCHEMBL8957005 | 0.77 | TDP1 (0.31) | — | |
| SCHEMBL11798613 | 0.77 | CA12 (0.35) | — | |
| SCHEMBL3279936 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL13197731 | 0.76 | — | — | |
| SCHEMBL27862408 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL28030319 | 0.74 | — | — | |
| SCHEMBL8956588 | 0.73 | — | — |
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-20230119640-A1 | ANTIBACTERIAL HYDROPHILIC COMPOUND | SHENZHEN UNIVERSITY (CN) | 2023-04-20 | — | — | US | disclosed |
| US-11503828-B2 | Antibacterial hydrophilic compound and use thereof | SHENZHEN UNIVERSITY (CN) | 2022-11-22 | — | — | US | disclosed |
| US-20200093124-A1 | ANTIBACTERIAL HYDROPHILIC COMPOUND AND USE THEREOF | SHENZHEN UNIVERSITY (CN) | 2020-03-26 | — | — | US | disclosed |
| US-4071554-A | Method for the preparation of N,N-dialkyl hydrazides | ASHLAND OIL, INC. (US) | 1978-01-31 | — | — | US | disclosed |