⚠ 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 | |
|---|---|---|---|---|
| 6-Chloronicotinaldehyde SCHEMBL29694763 | 1.00 | — | — | |
| 6-Chloronicotinaldehyde SCHEMBL27615551 | 0.98 | ALDH1A1 (0.49) | — | |
| SCHEMBL4598044 | 0.81 | ALDH1A1 (0.63) | — | |
| SCHEMBL12640351 | 0.79 | MAPT (0.53) | — | |
| SCHEMBL30547492 | 0.79 | NFE2L2 (0.49) | — | |
| SCHEMBL12694562 | 0.79 | NFE2L2 (0.49) | — | |
| SCHEMBL16838776 | 0.78 | ALDH1A1 (0.51) | — | |
| SCHEMBL12577895 | 0.77 | ALDH1A1 (0.61) | — | |
| SCHEMBL7015014 | 0.77 | NAPRT (0.55) | — | |
| SCHEMBL3368746 | 0.76 | — | — |
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 1810 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3356387-B1 | ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS | UNIV MONASH (AU) | 2024-06-26 | — | — | EP | claimed |
| CN-117867188-A | Bio-based ligand for chromium-free metal tanning agent | 温州大学 | 2024-04-12 | — | — | CN | claimed |
| CN-116640106-B | Phenylpiperazine compound and preparation method and application thereof | 郑州大学 | 2024-03-08 | — | — | CN | claimed |
| CN-116640106-A | Phenylpiperazine compound and preparation method and application thereof | 郑州大学 | 2023-08-25 | — | — | CN | claimed |
| CN-115819404-B | Rapid detection device and detection method for pymetrozine in agricultural products | 佛山职业技术学院 | 2023-04-18 | — | — | CN | claimed |
| CN-115819404-A | Rapid detection device and detection method for pymetrozine in agricultural products | 佛山职业技术学院 | 2023-03-21 | — | — | CN | claimed |
| US-11225505-B2 | Antimicrobial polymyxin derivative compounds | MONASH UNIVERSITY (AU) | 2022-01-18 | — | — | US | claimed |
| CN-113277975-A | Deuterated flurobenzapine and preparation method and application thereof | 深圳鼎邦生物科技有限公司 | 2021-08-20 | — | — | CN | claimed |
| CN-109761959-B | Method for synthesizing Abemaciclib mesylate | 杭州科巢生物科技有限公司 | 2020-09-08 | — | — | CN | claimed |
| CN-109761959-A | A kind of novel synthesis of Abemaciclib mesylate | 杭州科巢生物科技有限公司 | 2019-05-17 | — | — | CN | claimed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | claimed |
| EP-0977989-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2000-02-09 | — | — | EP | claimed |
| WO-1998034115-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | claimed |
| EP-0542086-B1 | Process for the preparation of the N-[(2-chloropyridin-5-yl)methyl]-ethylenediamine | BAYER AG (DE) | 1994-11-02 | — | — | EP | claimed |
| US-5352794-A | Process for the preparation of N-(2-chloro-pyridin-5-yl-methyl)ethylenediamine | BAYER AKTIENGESELLSCHAFT (DE) | 1994-10-04 | — | — | US | claimed |
| EP-0383091-B1 | Insecticidally active nitro compounds | BAYER AGROCHEM KK (JP) | 1993-11-10 | — | — | EP | claimed |
| EP-0542086-A1 | Process for the preparation of the N-[(2-chloropyridin-5-yl)methyl]-ethylenediamine | BAYER AG (DE) | 1993-05-19 | — | — | EP | claimed |
| US-5204359-A | Insecticidally active nitro compounds | NIHON BAYER AGROCHEM K.K. (JP) | 1993-04-20 | — | — | US | claimed |
| US-5084467-A | INSECTICIDALLY ACTIVE NITRO GUANIDINE COMPOUNDS | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1992-01-28 | — | — | US | claimed |
| EP-0383091-A1 | Insecticidally active nitro compounds | NIHON BAYER AGROCHEM K.K. (JP) | 1990-08-22 | — | — | EP | claimed |