⚠ 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 SCHEMBL5513477 | 0.98 | CYP19A1 (0.37) | — | |
| SCHEMBL9262364 | 0.81 | MMP2 (0.42) | — | |
| SCHEMBL901435 | 0.73 | — | — | |
| SCHEMBL11256550 | 0.73 | MMP13 (0.43) | — | |
| SCHEMBL9895106 | 0.73 | CYP19A1 (0.36) | — | |
| SCHEMBL29775979 | 0.71 | HSD17B10 (0.37) | — | |
| SCHEMBL8222748 | 0.71 | CYP19A1 (0.38) | — | |
| SCHEMBL8219644 | 0.71 | CYP19A1 (0.38) | — | |
| SCHEMBL10659784 | 0.70 | DNM1 (0.41) | — | |
| SCHEMBL1359080 | 0.68 | GAA (0.39) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119409636-A | 3-Amino-2-caprolactam derivative, nylon 6 material and preparation method thereof | 化学与精细化工广东省实验室揭阳分中心 | 2025-02-11 | — | — | CN | claimed |
| US-3988320-A | CRYSTALLIZATION OF AN ALPHA-AMINO-EPSILON-CAPROLACTAM-NICKEL CHLORIDE COMPLEX | ALLIED CHEMICAL CORPORATION (US) | 1976-10-26 | — | — | US | claimed |
| CN-105092741-B | Method for detecting 3-amino-2-caprolactam through high performance liquid chromatography | 四川科伦药业股份有限公司 | 2017-09-29 | — | — | CN | disclosed |
| EP-2065471-A1 | Method for producing basic amino acid | Ajinomoto Co., Inc. (JP) | 2009-06-03 | — | — | EP | disclosed |
| US-7208488-B2 | N-substituted benzene sulfonamides | ELAN PHARMACEUTICALS, INC. (US) | 2007-04-24 | — | — | US | disclosed |
| US-20050165003-A1 | Treating Alzheimer's Disease; 4-Chloro-N-(4-hydroxy-3-methoxy-benzyl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamide for example; gamma secretase inhibitors; inhibition of beta-amyloid synthesis with minimal inhibition of Notch Signaling | ELAN PHARMACEUTICALS, INC. | 2005-07-28 | — | — | US | disclosed |
| US-20020025564-A1 | Method for producing basic amino acid | AJINOMOTO CO., INC. (JP) | 2002-02-28 | — | — | US | disclosed |
| EP-1182261-A1 | Method for producing basic amino acid | Ajinomoto Co., Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |