⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8617951 | 0.90 | SKP2 (0.31) | — | |
| SCHEMBL8620549 | 0.85 | — | — | |
| SCHEMBL8616027 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL7642716 | 0.76 | — | — | |
| SCHEMBL8614491 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8357775 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8361309 | 0.72 | — | — | |
| SCHEMBL8357774 | 0.71 | — | — | |
| SCHEMBL8359404 | 0.70 | — | — | |
| SCHEMBL27366322 | 0.69 | TYR (0.33) | — |
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-0837865-A1 | PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-29 | — | — | EP | disclosed |
| WO-1997003080-A1 | PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | disclosed |