⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35226 | 0.96 | — | — | |
| SCHEMBL5776485 | 0.96 | — | — | |
| SCHEMBL7024646 | 0.96 | — | — | |
| SCHEMBL2972168 | 0.93 | — | — | |
| Water SCHEMBL28145599 | 0.93 | — | — | |
| Fluoride SCHEMBL21986315 | 0.93 | LMNA (0.57) | — | |
| Hydrogen Sulfide SCHEMBL28145586 | 0.93 | — | — | |
| Water SCHEMBL27407734 | 0.93 | LMNA (0.57) | — | |
| Hydrazine SCHEMBL27297763 | 0.90 | LMNA (0.53) | — | |
| Hydrazine SCHEMBL17259295 | 0.87 | LMNA (0.50) | — |
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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119432052-A | Self-repairing aqueous polyurethane composite elastomer based on dynamic interface reinforcement and toughening, and preparation method and application thereof | 西北工业大学 | 2025-02-14 | — | — | CN | claimed |
| CN-116751430-A | Self-repairing elastomer based on triple hydrogen bond and metal coordination effect and preparation method thereof | 西北工业大学 | 2023-09-15 | — | — | CN | claimed |
| CN-116730813-A | Method for preparing 4,4' -difluorobenzophenone from 4-chlorofluorobenzene | 武汉瑞阳化工有限公司 | 2023-09-12 | — | — | CN | claimed |
| CN-116730812-A | Preparation method of 4,4' -difluorobenzophenone | 武汉瑞阳化工有限公司 | 2023-09-12 | — | — | CN | claimed |
| WO-2021103327-A1 | PREPARATION METHOD FOR APREPITANT INTERMEDIATE IMPURITY | 中山奕安泰医药科技有限公司 | 2021-06-03 | — | — | WO | claimed |
| CN-110963928-B | Preparation method of aprepitant intermediate impurity | 中山奕安泰医药科技有限公司 | 2021-03-23 | — | — | CN | claimed |
| CN-110963928-A | Preparation method of aprepitant intermediate impurity | 中山奕安泰医药科技有限公司 | 2020-04-07 | — | — | CN | claimed |
| CN-116730813-B | Method for preparing 4,4' -difluorobenzophenone from 4-chlorofluorobenzene | 武汉瑞阳化工有限公司 | 2025-07-18 | — | — | CN | disclosed |
| CN-119432052-A | Self-repairing aqueous polyurethane composite elastomer based on dynamic interface reinforcement and toughening, and preparation method and application thereof | 西北工业大学 | 2025-02-14 | — | — | CN | disclosed |
| CN-116751430-A | Self-repairing elastomer based on triple hydrogen bond and metal coordination effect and preparation method thereof | 西北工业大学 | 2023-09-15 | — | — | CN | disclosed |
| CN-116730812-A | Preparation method of 4,4' -difluorobenzophenone | 武汉瑞阳化工有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-116730813-A | Method for preparing 4,4' -difluorobenzophenone from 4-chlorofluorobenzene | 武汉瑞阳化工有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-116730812-A | Preparation method of 4,4' -difluorobenzophenone | 武汉瑞阳化工有限公司 | 2023-09-12 | — | — | CN | disclosed |
| WO-2000013648-A2 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. LUNDBECK A/S (DK) | 2000-03-16 | — | — | WO | disclosed |
| WO-2000012044-A2 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. LUNDBECK A/S (DK) | 2000-03-09 | — | — | WO | disclosed |
| WO-2000011926-A2 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. LUNDBECK A/S (DK) | 2000-03-09 | — | — | WO | disclosed |
| WO-1999030548-A2 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. LUNDBECK A/S (DK) | 1999-06-24 | — | — | WO | disclosed |
| WO-1998019512-A2 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. LUNDBECK A/S (DK) | 1998-05-14 | — | — | WO | disclosed |
| WO-1998019511-A2 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. LUNDBECK A/S (DK) | 1998-05-14 | — | — | WO | disclosed |
| WO-1998019513-A2 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. LUNDBECK A/S (DK) | 1998-05-14 | — | — | WO | disclosed |