⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9711449 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL4147445 | 0.80 | AKR1B10 (0.31) | — | |
| SCHEMBL8610490 | 0.77 | — | — | |
| SCHEMBL16378093 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL10592727 | 0.71 | — | — | |
| Methyl Alcohol SCHEMBL28179853 | 0.70 | ALDH1A1 (0.36) | — | |
| Methyl Alcohol SCHEMBL27831139 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL176374 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL153517 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL302071 | 0.69 | ALDH1A1 (0.39) | — |
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-5732743-A | FOR JOINING PIPES AND REPAIRING A PIPE | LS TECHNOLOGY INC. (US) | 1998-03-31 | — | — | US | disclosed |