⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29802421 | 1.00 | — | — | |
| SCHEMBL5270632 | 0.94 | — | — | |
| SCHEMBL3847589 | 0.94 | — | — | |
| SCHEMBL5270631 | 0.94 | — | — | |
| SCHEMBL529741 | 0.94 | — | — | |
| SCHEMBL4959158 | 0.94 | — | — | |
| SCHEMBL12099232 | 0.94 | — | — | |
| SCHEMBL15789750 | 0.94 | — | — | |
| SCHEMBL3868877 | 0.94 | — | — | |
| SCHEMBL12276684 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101346352-B | Asymmetric reduction method | KISSEI PHARMACEUTICAL | 2011-04-13 | — | — | CN | claimed |
| CN-101346352-B | Asymmetric reduction method | KISSEI PHARMACEUTICAL | 2011-04-13 | — | — | CN | disclosed |
| CN-101346352-A | Asymmetric reduction method | KISSEI PHARMACEUTICAL (JP) | 2009-01-14 | — | — | CN | disclosed |
| JP-2004115437-A | METHOD FOR PRODUCING L-PHENYLEPHRINE | IWAKI SEIYAKU CO LTD | 2004-04-15 | — | — | JP | disclosed |