⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8910430 | 0.59 | — | — | |
| SCHEMBL6529026 | 0.58 | — | — | |
| SCHEMBL7450658 | 0.58 | — | — | |
| SCHEMBL18976715 | 0.56 | PARL (0.33) | — | |
| SCHEMBL317538 | 0.53 | PARL (0.34) | — | |
| SCHEMBL182701 | 0.51 | PARL (0.39) | — | |
| SCHEMBL8348981 | 0.51 | PARL (0.39) | — | |
| SCHEMBL24004663 | 0.51 | — | — | |
| SCHEMBL9349458 | 0.51 | PARL (0.32) | — | |
| SCHEMBL19341882 | 0.49 | PARL (0.34) | — |
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-5753520-A | BIOCHEMICAL CONJUGATED WITH A HYDRAZINE OR A HYDRAZONE COMPOUND AS DRUG DELIVERY; HIGH BIOLOGICAL SPECIFICITY; MEDICINE FOR IMAGING, THERAPY, RADIOACTIVE TAGGING | JOHNSON MATTHEY INC. (US) | 1998-05-19 | — | — | US | disclosed |