⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28847637 | 0.97 | ALDH1A1 (0.43) | — | |
| Acetic Acid SCHEMBL27600268 | 0.95 | ALDH1A1 (0.41) | — | |
| SCHEMBL5813282 | 0.85 | CYP1A2 (0.56) | — | |
| SCHEMBL17433647 | 0.83 | CYP1A2 (0.54) | — | |
| SCHEMBL12538257 | 0.83 | CYP1A2 (0.54) | — | |
| SCHEMBL6048039 | 0.83 | ALDH1A1 (0.50) | — | |
| SCHEMBL35205 | 0.83 | ALDH1A1 (0.56) | — | |
| SCHEMBL284862 | 0.81 | PAOX (0.58) | — | |
| SCHEMBL19816433 | 0.81 | PAOX (0.58) | — | |
| SCHEMBL9170595 | 0.81 | PAOX (0.58) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103508945-A | Preparation method of 2-chloro-4-methyl nicotinonitrile | BIOTALK CO LTD | 2014-01-15 | — | — | CN | claimed |
| US-20250152533-A1 | Novel Beta-Alanine Compositions and Methods of Use Thereof | LEGACY CORPORATE LENDING, LLC, AS ADMINISTRATIVE AGENT | 2025-05-15 | — | — | US | disclosed |
| WO-2017096260-A1 | METHODS AND MATERIALS FOR PRODUCING 7-CARBON MONOMERS | INVISTA NORTH AMERICA S.A.R.L. (US) | 2017-06-08 | — | — | WO | disclosed |
| CN-103508945-A | Preparation method of 2-chloro-4-methyl nicotinonitrile | BIOTALK CO LTD | 2014-01-15 | — | — | CN | disclosed |
| US-20130309282-A1 | HAIRSTYLING AGENT COMPOSITION | KIKUBOSHI CORPORATION (JP) | 2013-11-21 | — | — | US | disclosed |
| US-20070141014-A1 | Formulation assistants | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2007-06-21 | — | — | US | disclosed |
| CN-1874991-A | Compounds capable of binding to the S1P receptor and pharmaceutical uses thereof | ONO PHARMACEUTICAL CO (JP) | 2006-12-06 | — | — | CN | disclosed |
| EP-1218354-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | AstraZeneca AB (SE) | 2002-07-03 | — | — | EP | disclosed |
| US-6303317-B1 | PREFERENTIAL AMINO ACID SEQUENCE PROBE; FOR AS A DIAGNOSTIC DETECTION TOOL | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2001-10-16 | — | — | US | disclosed |
| EP-1091945-A1 | CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2001021596-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | ASTRAZENECA AB (SE) | 2001-03-29 | — | — | WO | disclosed |
| WO-2000000481-A1 | CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-01-06 | — | — | WO | disclosed |
| WO-1998032848-A9 | PEPTIDE PROBES TO COIL PROTEINS AND METHODS FOR MAKING THE SAME | — | 1998-11-26 | — | — | WO | disclosed |
| WO-1998032848-A1 | PEPTIDE PROBES TO COIL PROTEINS AND METHODS FOR MAKING THE SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1998-07-30 | — | — | WO | disclosed |