⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL896392 | 0.93 | — | — | |
| SCHEMBL9579603 | 0.93 | — | — | |
| SCHEMBL9540689 | 0.91 | CRBN (0.36) | — | |
| SCHEMBL333354 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL28171435 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL18154527 | 0.82 | — | — | |
| Urea SCHEMBL1100629 | 0.75 | PYGM (0.31) | — | |
| SCHEMBL745074 | 0.74 | — | — | |
| SCHEMBL10520631 | 0.70 | — | — | |
| Morpholine SCHEMBL4649443 | 0.69 | 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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115108956-B | Purification method for preparing caprolactam crude product by gas-phase Beckmann rearrangement method | 中国石油化工股份有限公司 | 2025-03-11 | — | — | CN | claimed |
| CN-114907264-B | Process for refining caprolactam | 中国石油化工股份有限公司 | 2024-07-09 | — | — | CN | claimed |
| CN-114907263-B | Process for refining caprolactam | 中国石油化工股份有限公司 | 2024-07-09 | — | — | CN | claimed |
| CN-109665981-B | Preparation method of caprolactam | 中国石油化工股份有限公司 | 2024-05-17 | — | — | CN | claimed |
| CN-112159357-B | Refining method of caprolactam | 浙江恒逸石化研究院有限公司 | 2023-05-23 | — | — | CN | claimed |
| CN-115108956-A | Purification method for preparing caprolactam crude product by gas phase Beckmann rearrangement method | 中国石油化工股份有限公司 | 2022-09-27 | — | — | CN | claimed |
| CN-112142637-B | Method and system for refining caprolactam | 浙江恒逸石化研究院有限公司 | 2022-09-02 | — | — | CN | claimed |
| CN-114907264-A | Refining method of caprolactam | 中国石油化工股份有限公司 | 2022-08-16 | — | — | CN | claimed |
| CN-114907263-A | Refining method of caprolactam | 中国石油化工股份有限公司 | 2022-08-16 | — | — | CN | claimed |
| CN-109665996-B | Method and apparatus for refining caprolactam | 中国石油化工股份有限公司 | 2021-04-06 | — | — | CN | claimed |
| CN-111592492-A | Method for improving quality of caprolactam product subjected to liquid phase Beckmann rearrangement | 中国石油化工股份有限公司 | 2020-08-28 | — | — | CN | claimed |
| US-20150045496-A1 | THERMO-REVERSIBLE POLYBUTADIENE RUBBER BLEND WITH SELF-HEALING NATURE | RELIANCE INDUSTRIES LIMITED (IN) | 2015-02-12 | — | — | US | claimed |
| WO-2013164843-A1 | THERMO-REVERSIBLE POLYBUTADIENE RUBBER BLEND WITH SELF-HEALING NATURE | RELIANCE INDUSTRIES LTD. (IN) | 2013-11-07 | — | — | WO | claimed |
| US-6433166-B1 | — | — | None | — | — | US | disclosed |
| CN-115108956-B | Purification method for preparing caprolactam crude product by gas-phase Beckmann rearrangement method | 中国石油化工股份有限公司 | 2025-03-11 | — | — | CN | disclosed |
| CN-115677582-B | Continuous flash crystallization refining method of caprolactam and production method of caprolactam | 中国石油化工股份有限公司 | 2024-09-20 | — | — | CN | disclosed |
| US-4746657-A | ANTIHISTAMINES | A. H. ROBINS COMPANY, INCORPORATED (US) | 1988-05-24 | — | — | US | disclosed |
| US-4746657-A | ANTIHISTAMINES | A. H. ROBINS COMPANY, INCORPORATED (US) | 1988-05-24 | — | — | US | disclosed |
| US-4746657-A | ANTIHISTAMINES | A. H. ROBINS COMPANY, INCORPORATED (US) | 1988-05-24 | — | — | US | disclosed |
| US-3951769-A | Epoxide photopolymerizable compositions containing cyclic amides as gelation inhibitor and methods of polymerizing | AMERICAN CAN COMPANY (US) | 1976-04-20 | — | — | US | disclosed |