⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1028544 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL9121969 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL2045383 | 0.72 | CA2 (0.40) | — | |
| SCHEMBL1027035 | 0.71 | ELANE (0.41) | — | |
| SCHEMBL9122108 | 0.69 | — | — | |
| SCHEMBL726454 | 0.68 | CA2 (0.40) | — | |
| SCHEMBL28627162 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL3682899 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL6647970 | 0.67 | HSPA5 (0.34) | — | |
| SCHEMBL28629170 | 0.67 | CA2 (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-5459117-A | Doubly-conformationally locked, stereorigid catalysts for the preparation of tactiospecific polymers | MONTELL TECHNOLOGY COMPANY BV (NL) | 1995-10-17 | — | — | US | disclosed |