⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27556741 | 0.98 | ALDH1A1 (0.48) | — | |
| SCHEMBL27473168 | 0.88 | TP53 (0.42) | — | |
| SCHEMBL20241753 | 0.83 | — | — | |
| SCHEMBL706084 | 0.83 | LMNA (0.71) | — | |
| SCHEMBL13704775 | 0.82 | ALDH1A1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL26919968 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL120124 | 0.80 | — | — | |
| SCHEMBL6525191 | 0.80 | — | — | |
| SCHEMBL30366016 | 0.80 | LMNA (0.68) | — | |
| SCHEMBL67893 | 0.79 | ALDH1A1 (0.48) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017091617-A1 | TRIAZOLE ACC INHIBITORS AND USES THEREOF | GILEAD APOLLO, LLC (US) | 2017-06-01 | — | — | WO | disclosed |
| CN-101903386-B | Dipeptidyl peptidase-IV inhibiting compounds, methods of preparing the same, and pharmaceutical compositions containing the same as active agent | LG LIFE SCIENCES LTD | 2015-04-22 | — | — | CN | disclosed |
| CN-102473850-B | Device material for hole injection transport layer, ink for forming hole injection transport layer, device having hole injection transport layer, and method for producing same | DAINIPPON PRINTING CO LTD | 2015-02-11 | — | — | CN | disclosed |
| CN-102473849-B | Device material for hole injection/transport layer, ink for forming hole injection/transport layer, device having hole injection/transport layer, and method for manufacturing same | DAINIPPON PRINTING CO LTD | 2014-11-05 | — | — | CN | disclosed |
| CN-101331118-A | Pyrazoles useful in the treatment of inflammation | BIOLIPOX AB (SE) | 2008-12-24 | — | — | CN | disclosed |
| CN-101151265-A | Dipeptidyl peptidase-iv inhibiting compounds, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent | LG LIFE SCIENCES LTD (KR) | 2008-03-26 | — | — | CN | disclosed |
| CN-1913778-A | Aminocyclopentyl pyridopyrazinone modulators of chemokine receptor activity | MERCK & CO INC (US) | 2007-02-14 | — | — | CN | disclosed |
| CN-1146203-A | Pyrimidinyl aryl ketone oximes | UNIROYAL CHEM CO INC (US) | 1997-03-26 | — | — | CN | disclosed |
| WO-1991019002-A1 | A PROCESS FOR CHIRAL ENRICHMENT OF ASYMMETRIC PRIMARY AMINES | CARLBIOTECH LTD. A/S (DK) | 1991-12-12 | — | — | WO | disclosed |