⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5418444 | 0.77 | — | — | |
| SCHEMBL11431933 | 0.52 | TSHR (0.42) | — | |
| SCHEMBL1775867 | 0.49 | — | — | |
| SCHEMBL9452610 | 0.47 | ALDH1A1 (0.47) | — | |
| SCHEMBL27800501 | 0.47 | — | — | |
| SCHEMBL317998 | 0.46 | — | — | |
| SCHEMBL651428 | 0.46 | MEN1 (0.75) | — | |
| SCHEMBL272906 | 0.45 | MEN1 (0.42) | — | |
| Nitromethane SCHEMBL525 | 0.43 | — | — | |
| Hydrochloric Acid SCHEMBL30978214 | 0.43 | MEN1 (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 |
|---|---|---|---|---|---|---|---|
| CN-102395630-A | Base coat paint composition | KANSAI PAINT CO LTD | 2012-03-28 | — | — | CN | disclosed |