⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1114997 | 1.00 | — | — | |
| SCHEMBL2633039 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27450407 | 0.98 | ALDH1A1 (0.53) | — | |
| SCHEMBL6466558 | 0.86 | S1PR2 (0.57) | — | |
| SCHEMBL288356 | 0.86 | S1PR2 (0.57) | — | |
| SCHEMBL5496400 | 0.86 | S1PR2 (0.57) | — | |
| SCHEMBL3996933 | 0.85 | S1PR2 (0.45) | — | |
| SCHEMBL287826 | 0.84 | S1PR2 (0.60) | — | |
| SCHEMBL4411200 | 0.84 | S1PR2 (0.60) | — | |
| SCHEMBL626959 | 0.84 | S1PR2 (0.60) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113755462-B | Beta-amino acid dehydrogenase mutant and application thereof | 中国科学院天津工业生物技术研究所 | 2023-04-18 | — | — | CN | disclosed |
| US-20230102258-A1 | C5AR ANTAGONISTS | CHEMOCENTRYX, INC. | 2023-03-30 | — | — | US | disclosed |
| EP-4015504-A1 | C5AR ANTAGONISTS | ChemoCentryx, Inc. (US) | 2022-06-22 | — | — | EP | disclosed |
| EP-3950673-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Inspirna, Inc. (US) | 2022-02-09 | — | — | EP | disclosed |
| EP-3950673-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Inspirna, Inc. (US) | 2022-02-09 | — | — | EP | disclosed |
| CN-113755462-A | Beta-amino acid dehydrogenase mutant and application thereof | 中国科学院天津工业生物技术研究所 | 2021-12-07 | — | — | CN | disclosed |
| EP-3137447-B1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX INC (US) | 2021-06-30 | — | — | EP | disclosed |
| EP-3137447-B1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX INC (US) | 2021-06-30 | — | — | EP | disclosed |
| US-10717704-B2 | Inhibitors of creatine transport and uses thereof | RGENIX, INC. (US) | 2020-07-21 | — | — | US | disclosed |
| US-10717704-B2 | Inhibitors of creatine transport and uses thereof | RGENIX, INC. (US) | 2020-07-21 | — | — | US | disclosed |
| US-20170050924-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | INSPIRNA, INC. | 2017-02-23 | — | — | US | disclosed |
| US-20170050924-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | INSPIRNA, INC. | 2017-02-23 | — | — | US | disclosed |
| US-20170050924-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | INSPIRNA, INC. | 2017-02-23 | — | — | US | disclosed |
| WO-2016176636-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2016-11-03 | — | — | WO | disclosed |
| WO-2015168465-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2015-11-05 | — | — | WO | disclosed |
| US-20080312080-A1 | Novel dioctatin derivatives and production process thereof | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 2008-12-18 | — | — | US | disclosed |
| WO-2006040181-A2 | 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS | EURO-CELTIQUE S.A. (LU) | 2006-04-20 | — | — | WO | disclosed |
| EP-0691953-B1 | 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS | SEARLE & CO (US) | 2000-08-02 | — | — | EP | disclosed |
| US-5721366-A | PHENYLAMIDINE DERIVATIVES | G. D. SEARLE & CO (US) | 1998-02-24 | — | — | US | disclosed |
| EP-0691953-A1 | 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1996-01-17 | — | — | EP | disclosed |