⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL671340 | 0.96 | — | — | |
| SCHEMBL14924312 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL27878358 | 0.93 | — | — | |
| Water SCHEMBL28143699 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28194028 | 0.90 | CA1 (0.40) | — | |
| SCHEMBL20591144 | 0.80 | IDO1 (0.35) | — | |
| SCHEMBL22620539 | 0.80 | IDO1 (0.46) | — | |
| SCHEMBL20036881 | 0.80 | MEN1 (0.41) | — | |
| SCHEMBL13499 | 0.76 | — | — | |
| Bromide SCHEMBL6770232 | 0.71 | — | — |
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-101580518-B | Process for preparing diphosphine compounds and intermediates useful in the process | TAKEDA CHEMICAL INDUSTRIES LTD | 2012-05-23 | — | — | CN | disclosed |
| CN-101580518-A | Method for producing diphosphine compound and intermediate for producing the same | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2009-11-18 | — | — | CN | disclosed |
| CN-100519569-C | Process for preparing diphosphine compounds and intermediates useful in the process | TAKEDA PHARMACEUTICAL (JP) | 2009-07-29 | — | — | CN | disclosed |
| CN-1617876-A | Process for preparing diphosphine compounds and intermediates useful in the process | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2005-05-18 | — | — | CN | disclosed |