⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121301 | 0.98 | — | — | |
| SCHEMBL27714126 | 0.95 | — | — | |
| SCHEMBL15012698 | 0.95 | — | — | |
| Water SCHEMBL28313135 | 0.95 | — | — | |
| SCHEMBL28284197 | 0.95 | — | — | |
| SCHEMBL27734575 | 0.95 | — | — | |
| Bromide SCHEMBL31321998 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1128589 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL27970899 | 0.95 | — | — | |
| Water SCHEMBL15012697 | 0.93 | ALDH1A1 (0.59) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110049978-A | PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS | 雷格南希制药有限责任公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-1826333-B | Diamine derivatives | DAIICHI SANKYO CO LTD | 2012-12-26 | — | — | CN | disclosed |
| CN-1751025-B | Diamine derivatives | DAIICHI SEIYAKU CO | 2010-05-12 | — | — | CN | disclosed |
| CN-100545160-C | Diamine derivative | DAIICHI SEIYAKU CO (JP) | 2009-09-30 | — | — | CN | disclosed |
| CN-101163700-A | Triamine derivative | DAIICHI SEIYAKU CO (JP) | 2008-04-16 | — | — | CN | disclosed |
| EP-1864982-A1 | TRIAMINE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-12-12 | — | — | EP | disclosed |
| CN-1894238-A | Diamine derivatives | DAIICHI SEIYAKU CO (JP) | 2007-01-10 | — | — | CN | disclosed |
| CN-1293057-C | Ethylenediamine derivatives | DAIICHI SEIYAKU CO (JP) | 2007-01-03 | — | — | CN | disclosed |
| CN-1826333-A | Diamine derivatives | DAIICHI SEIYAKU CO (JP) | 2006-08-30 | — | — | CN | disclosed |
| CN-1751025-A | Diamine derivatives | DAIICHI SEIYAKU CO (JP) | 2006-03-22 | — | — | CN | disclosed |
| CN-1745071-A | Novel ethylenediamine derivative | DAIICHI SEIYAKU CO (JP) | 2006-03-08 | — | — | CN | disclosed |
| CN-1438993-A | Ethylenediamine derivatives | DAIICHI SEIYAKU CO (JP) | 2003-08-27 | — | — | CN | disclosed |