⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7546495 | 0.82 | — | — | |
| SCHEMBL1387828 | 0.71 | CFTR (0.38) | — | |
| Acetone SCHEMBL28756352 | 0.64 | EDNRA (0.36) | — | |
| Hydrochloric Acid SCHEMBL3373674 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL28359993 | 0.63 | HTR2A (0.32) | — | |
| SCHEMBL29213168 | 0.62 | LMNA (0.34) | — | |
| SCHEMBL6673270 | 0.62 | GAA (0.35) | — | |
| SCHEMBL15661815 | 0.62 | HDAC4 (0.38) | — | |
| SCHEMBL3205637 | 0.62 | LMNA (0.34) | — | |
| SCHEMBL28219648 | 0.62 | MEN1 (0.35) | — |
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-0798306-B1 | Substituted indenyl unbridged metallocenes | PHILLIPS PETROLEUM CO (US) | 2002-05-22 | — | — | EP | claimed |
| EP-0798306-A1 | Substituted indenyl unbridged metallocenes | PHILLIPS PETROLEUM COMPANY (US) | 1997-10-01 | — | — | EP | claimed |