⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10734090 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL5984517 | 0.80 | — | — | |
| SCHEMBL59968 | 0.78 | — | — | |
| SCHEMBL6361837 | 0.78 | — | — | |
| SCHEMBL17607372 | 0.78 | — | — | |
| SCHEMBL17607670 | 0.76 | — | — | |
| SCHEMBL27991569 | 0.76 | — | — | |
| SCHEMBL17607683 | 0.74 | — | — | |
| SCHEMBL4652994 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL59580 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1440155-A2 | LIPASE VARIANTS | BASF AKTIENGESELLSCHAFT (DE) | 2004-07-28 | — | — | EP | disclosed |
| WO-2003035878-A2 | LIPASE VARIANTS | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-01 | — | — | WO | disclosed |