⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28025043 | 1.00 | — | — | |
| SCHEMBL28005935 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27992347 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL28273721 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL28137736 | 0.98 | — | — | |
| SCHEMBL5801661 | 0.77 | LMNA (0.32) | — | |
| SCHEMBL2104149 | 0.76 | HTR2C (0.39) | — | |
| SCHEMBL13256930 | 0.74 | CYP3A4 (0.35) | — | |
| SCHEMBL10550330 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL2104696 | 0.71 | CYP19A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107613977-A | For controlling the Medetomidine of the upper parasitic Crustaceans of fish | I-技术有限公司 | 2018-01-19 | — | — | CN | disclosed |