⚠ 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 SCHEMBL27392102 | 0.97 | LMNA (0.45) | — | |
| SCHEMBL38853 | 0.96 | — | — | |
| SCHEMBL10013141 | 0.96 | LMNA (0.50) | — | |
| Hydrogen Sulfide SCHEMBL5675311 | 0.93 | — | — | |
| Pentane SCHEMBL11404554 | 0.93 | TSHR (0.50) | — | |
| Butane SCHEMBL4668346 | 0.93 | LMNA (0.47) | — | |
| Water SCHEMBL2387761 | 0.93 | — | — | |
| Water SCHEMBL22688976 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28967111 | 0.93 | — | — | |
| SCHEMBL8037931 | 0.93 | — | — |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118183787-A | ABC-6 family series small pore silicon-aluminum molecular sieve and preparation method thereof | 中国科学院大连化学物理研究所 | 2024-06-14 | — | — | CN | claimed |
| CN-110023451-A | The coolant comprising azole derivative and other preservative for the cooling system in the electric vehicle with fuel cell and/or battery | 巴斯夫欧洲公司 | 2019-07-16 | — | — | CN | claimed |
| CN-118291419-A | Mutant of thermostable aminotransferase and application thereof | 清华大学 | 2024-07-05 | — | — | CN | disclosed |
| CN-118183787-A | ABC-6 family series small pore silicon-aluminum molecular sieve and preparation method thereof | 中国科学院大连化学物理研究所 | 2024-06-14 | — | — | CN | disclosed |
| CN-116064447-A | Use of aminotransferase and mutants thereof in chiral amine synthesis | 中国科学院天津工业生物技术研究所 | 2023-05-05 | — | — | CN | disclosed |
| CN-110577941-B | Amine dehydrogenase and application thereof | 厦门大学 | 2021-06-08 | — | — | CN | disclosed |
| CN-110577941-A | amine dehydrogenase and application thereof | 厦门大学 | 2019-12-17 | — | — | CN | disclosed |
| US-20190254336-A1 | LIQUID COMPOSITION FOR ELECTRONIC CIGARETTES | CMBT HOLDINGS INC. (US) | 2019-08-22 | — | — | US | disclosed |
| CN-110023451-A | The coolant comprising azole derivative and other preservative for the cooling system in the electric vehicle with fuel cell and/or battery | 巴斯夫欧洲公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-105567756-B | A kind of method of marine bacteria strain and its amine dehydrogenase catalysis preparation Chiral Amine | 厦门大学 | 2019-06-14 | — | — | CN | disclosed |
| CN-104856679-B | Breath analysis system and method for asthma, tuberculosis and lung cancer diagnosis and disease management | 创控科技股份有限公司 | 2019-02-22 | — | — | CN | disclosed |
| CN-101952988-A | Perylene semiconductors and methods of preparation and use thereof | BASF SE | 2011-01-19 | — | — | CN | disclosed |
| CN-100545145-C | Azide-free process for preparing 1, 2-diamino compounds | HOFFMANN LA ROCHE (CH) | 2009-09-30 | — | — | CN | disclosed |
| CN-1759093-A | Azide-free process for preparing 1, 2-diamino compounds | HOFFMANN LA ROCHE (CH) | 2006-04-12 | — | — | CN | disclosed |
| CN-1391560-A | Quinazoline derivatives | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | CN | disclosed |
| EP-0846679-B1 | Process for preparing 1,3-disubstituted urea | SUMIKA FINE CHEMICALS CO LTD (JP) | 2000-09-06 | — | — | EP | disclosed |
| CN-1054849-C | Preparation of quaternized aminoacetonitriles | BASF AG (DE) | 2000-07-26 | — | — | CN | disclosed |
| US-5902899-A | Process for preparing 1, 3-disubstituted urea | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 1999-05-11 | — | — | US | disclosed |
| EP-0846679-A2 | Process for preparing 1,3-disubstituted urea | SUMIKA FINE CHEMICALS Co., Ltd. (JP) | 1998-06-10 | — | — | EP | disclosed |
| CN-1159802-A | Process for producing quaternary glycine nitriles | BASF AG (DE) | 1997-09-17 | — | — | CN | disclosed |