⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9736889 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL9737899 | 0.74 | CYP3A4 (0.39) | — | |
| SCHEMBL9737885 | 0.74 | CYP3A4 (0.39) | — | |
| SCHEMBL17596226 | 0.68 | PSEN1 (0.37) | — | |
| SCHEMBL8541198 | 0.66 | CASP3 (0.38) | — | |
| SCHEMBL8541195 | 0.66 | CASP3 (0.38) | — | |
| SCHEMBL8541269 | 0.66 | CASP3 (0.38) | — | |
| SCHEMBL5422707 | 0.66 | CTSL (0.32) | — | |
| SCHEMBL2151199 | 0.64 | KDM4E (0.34) | — | |
| SCHEMBL2075689 | 0.63 | CYP1A2 (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2131493-A | — | — | None | — | — | JP | disclosed |
| EP-0251164-B1 | NEW CHIRAL PHOSPHINOPYRROLIDINE COMPOUNDS AND THEIR USE FOR ASYMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | Achiwa, Kazuo (JP) | 1992-12-16 | — | — | EP | disclosed |
| JP-H02131493-A | NEW PHOSPHINOPYRROLIDINE COMPOUND AND METHOD FOR ASYMMETRIC SYNTHESIS USING THE SAME | FUJI YAKUHIN KOGYO KK | 1990-05-21 | — | — | JP | disclosed |
| US-4879389-A | HYDROGENATION CATALYSTS | ACHIWA KAZUO (JP) | 1989-11-07 | — | — | US | disclosed |
| EP-0251164-A2 | New chiral phosphinopyrrolidine compounds and their use for asymetric synthesis of optically active compounds | Achiwa, Kazuo (JP) | 1988-01-07 | — | — | EP | disclosed |