⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL541182 | 0.93 | — | — | |
| SCHEMBL541181 | 0.93 | — | — | |
| SCHEMBL30545269 | 0.91 | ALDH1A1 (0.39) | — | |
| SCHEMBL4954670 | 0.91 | ALDH1A1 (0.39) | — | |
| SCHEMBL4954673 | 0.91 | ALDH1A1 (0.39) | — | |
| SCHEMBL4954677 | 0.91 | ALDH1A1 (0.39) | — | |
| SCHEMBL29636334 | 0.91 | ALDH1A1 (0.39) | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL49488 | 0.84 | — | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL31482438 | 0.82 | — | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL9464948 | 0.82 | — | — |
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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109665980-B | Refining method of caprolactam | 中国石油化工股份有限公司 | 2021-01-08 | — | — | CN | claimed |
| CN-109665997-B | Preparation method of caprolactam | 中国石油化工股份有限公司 | 2021-01-08 | — | — | CN | claimed |
| CN-109665998-B | Method and apparatus for refining caprolactam | 中国石油化工股份有限公司 | 2021-01-08 | — | — | 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-20110183386-A1 | PREPARATION OF EPSILON-CAPROLACTAM FROM (Z)-6,7-DIHYDRO-1H-AZEPIN-2(5H)-ONE | DSM IP ASSETS B.V. (NL) | 2011-07-28 | — | — | US | claimed |
| US-20110136186-A1 | PREPARATION OF ALPHA-AMINO-EPSILON-CAPROLACTAM VIA LYSINE CYCLISATION | DSM IP ASSETS B.V. (NL) | 2011-06-09 | — | — | US | claimed |
| EP-2291531-A1 | PREPARATION OF EPSILON-CAPROLACTAM FROM (Z)-6,7-DIHYDRO-1H-AZEPIN-2(5H)-ONE | DSM IP Assets B.V. (NL) | 2011-03-09 | — | — | EP | claimed |
| WO-2009142490-A1 | PREPARATION OF EPSILON-CAPROLACTAM FROM (Z)-6,7-DIHYDRO-1H-AZEPIN-2(5H)-ONE | DSM IP ASSETS B.V. (NL) | 2009-11-26 | — | — | WO | claimed |
| EP-2123767-A1 | Preparation of epsilon-caprolactam via lysine cyclisation | DSM IP Assets B.V. (NL) | 2009-11-25 | — | — | EP | claimed |
| EP-2123768-A1 | Preparation of (Z)-6,7-dihydro-1H-azepin-2(5H)-one | DSM IP Assets B.V. (NL) | 2009-11-25 | — | — | EP | claimed |
| EP-1572772-B1 | METHOD FOR PRODUCING POLYURETHANE PREPOLYMERS IN THE PRESENCE OF A CATALYST | HENKEL KGAA (DE) | 2006-09-06 | — | — | EP | claimed |
| US-20060004175-A1 | Method for producing a polyurethane prepolymer | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-01-05 | — | — | US | claimed |
| US-6433166-B1 | — | — | None | — | — | US | disclosed |
| CN-118697737-A | Application of piperlonguminine analogue compound in preparation of medicines for treating cervical cancer and/or liver cancer | 赣南医学院第一附属医院 | 2024-09-27 | — | — | CN | disclosed |
| CN-114907263-B | Process for refining caprolactam | 中国石油化工股份有限公司 | 2024-07-09 | — | — | CN | disclosed |
| EP-0267277-A4 | COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS. | NELSON RES & DEV COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |
| US-4755535-A | Compositions comprising 1-substituted azacycloalkenes | NELSON RESEARCH & DEVELOPMENT CO. (US) | 1988-07-05 | — | — | US | disclosed |
| EP-0267277-A1 | COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS. | NELSON RES & DEV (US) | 1988-05-18 | — | — | EP | disclosed |
| WO-1987006583-A1 | COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS | NELSON RESEARCH AND DEVELOPMENT COMPANY (US) | 1987-11-05 | — | — | WO | disclosed |