⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31614118 | 0.76 | — | — | |
| SCHEMBL1362386 | 0.73 | — | — | |
| SCHEMBL25275043 | 0.71 | — | — | |
| SCHEMBL440679 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL14837532 | 0.69 | — | — | |
| SCHEMBL6155261 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7753407 | 0.69 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL28740641 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL25269379 | 0.67 | — | — | |
| SCHEMBL2311058 | 0.67 | — | — |
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-2006123343-A2 | BIOLOGICALLY ACTIVE METAL-COATED PROTEINS | RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) | 2006-11-23 | — | — | WO | claimed |