⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8620322 | 0.89 | — | — | |
| SCHEMBL8613272 | 0.76 | — | — | |
| SCHEMBL8613166 | 0.74 | — | — | |
| SCHEMBL8619099 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8459666 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8458256 | 0.72 | — | — | |
| SCHEMBL8619209 | 0.71 | TYR (0.30) | — | |
| SCHEMBL8615600 | 0.68 | — | — | |
| SCHEMBL8620200 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8769059 | 0.65 | — | — |
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-0837866-A1 | PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-29 | — | — | EP | disclosed |
| WO-1997003081-A1 | PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | disclosed |