⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9515906 | 0.65 | — | — | |
| SCHEMBL3791452 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL11433853 | 0.63 | NOTUM (0.41) | — | |
| SCHEMBL7902 | 0.63 | ALDH1A1 (0.47) | — | |
| SCHEMBL5797000 | 0.63 | CYP3A4 (0.44) | — | |
| SCHEMBL8021654 | 0.61 | — | — | |
| Pyridine SCHEMBL28013453 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL31748329 | 0.60 | KMT2A (0.32) | — | |
| SCHEMBL11545484 | 0.60 | CYP1A2 (0.34) | — | |
| SCHEMBL20187362 | 0.58 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0874829-A1 | AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-04 | — | — | EP | claimed |
| WO-1997012878-A1 | AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-10 | — | — | WO | claimed |
| CN-113039191-B | Nucleotide analogues | 奇异基因组学系统公司 | 2024-07-16 | — | — | CN | disclosed |
| CN-118251492-A | PMP 22-targeting compounds for the treatment of summer-Mary-Tuber disease | 诺华股份有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-117957320-A | NRL-targeting compounds for the treatment of retinitis pigmentosa | 诺华股份有限公司 | 2024-04-30 | — | — | CN | disclosed |
| CN-115916338-A | NURR1 receptor modulators and uses thereof | 加利福尼亚大学董事会 | 2023-04-04 | — | — | CN | disclosed |
| CN-115397471-A | Compounds comprising nucleic acids and half-life extending motifs | DTX医药有限公司 | 2022-11-25 | — | — | CN | disclosed |
| CN-115348883-A | Compounds and methods for treating duchenne muscular dystrophy | DTX医药有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-115348861-A | Alpha-5 beta-1 inhibitors | 加利福尼亚大学董事会 | 2022-11-15 | — | — | CN | disclosed |
| CN-110099684-B | Compounds and methods for modulating interleukin-2-inducible T cell kinase | 科尔沃斯制药股份有限公司 | 2022-11-11 | — | — | CN | disclosed |
| EP-0892787-B1 | NOVEL ALPHA-HYDROXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE | ABBOTT GMBH & CO KG (DE) | 2003-06-11 | — | — | EP | disclosed |
| EP-0892787-A1 | NOVEL $g(a)-HYDROXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-27 | — | — | EP | disclosed |
| EP-0874829-A1 | AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997038981-A1 | NOVEL α-HYDROXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1997-10-23 | — | — | WO | disclosed |
| WO-1997012878-A1 | AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-10 | — | — | WO | disclosed |