⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31171067 | 1.00 | — | — | |
| Cyanide SCHEMBL28048181 | 0.93 | HCAR2 (0.39) | — | |
| Formamide SCHEMBL28048134 | 0.87 | HCAR2 (0.39) | — | |
| Formic Acid SCHEMBL27869530 | 0.87 | HCAR2 (0.44) | — | |
| SCHEMBL197638 | 0.78 | — | — | |
| SCHEMBL24225 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6069542 | 0.76 | — | — | |
| SCHEMBL28044800 | 0.76 | — | — | |
| SCHEMBL30129770 | 0.76 | — | — | |
| Water SCHEMBL28044737 | 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 623 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112358487-B | Lappaconitine derivative, and preparation method and application thereof | 中国科学院新疆理化技术研究所 | 2023-08-25 | — | — | CN | claimed |
| WO-2022099937-A1 | LAPPACONITINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 中国科学院新疆理化技术研究所 | 2022-05-19 | — | — | WO | claimed |
| EP-3089980-B1 | SERINE/THREONINE KINASE INHIBITORS | ARRAY BIOPHARMA INC (US) | 2018-01-31 | — | — | EP | claimed |
| US-9670208-B2 | Serine/threonine kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2017-06-06 | — | — | US | claimed |
| EP-3089980-A1 | SERINE/THREONINE KINASE INHIBITORS | Array Biopharma, Inc. (US) | 2016-11-09 | — | — | EP | claimed |
| US-20160304519-A1 | SERINE/THREONINE KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2016-10-20 | — | — | US | claimed |
| WO-2015103137-A1 | SERINE/THREONINE KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2015-07-09 | — | — | WO | claimed |
| EP-2419405-A1 | 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS | Theravance, Inc. (US) | 2012-02-22 | — | — | EP | claimed |
| WO-2010120910-A1 | 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS | THERAVANCE, INC. (US) | 2010-10-21 | — | — | WO | claimed |
| US-20100267743-A1 | 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS | THERAVANCE BIOPHARMA R&D IP, LLC | 2010-10-21 | — | — | US | claimed |
| EP-4400502-A2 | TRIAZINE DERIVATIVES HAVING VIRUS REPLICATION INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Shionogi & Co., Ltd (JP) | 2024-07-17 | — | — | EP | disclosed |
| US-20240228472-A1 | HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2024-07-11 | — | — | US | disclosed |
| US-20240228472-A1 | HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2024-07-11 | — | — | US | disclosed |
| WO-2024130411-A1 | PROTEASE INHIBITORS AND METHODS OF USING SAME | VARIATIONAL AI INC. (CA) | 2024-06-27 | — | — | WO | disclosed |
| WO-2024102989-A1 | NON-PEPTIDIC SARS-COV-2 MAIN PROTEASE INHIBITORS | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2024-05-16 | — | — | WO | disclosed |
| EP-0438691-A1 | Process for the preparation of substituted 2-chloropyridines | BAYER AG (DE) | 1991-07-31 | — | — | EP | disclosed |
| US-5010201-A | Process for the preparation of substituted 2-chloropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-23 | — | — | US | disclosed |
| EP-0370317-A1 | Process for the preparation of substituted 2-chloropyridines | BAYER AG (DE) | 1990-05-30 | — | — | EP | disclosed |
| US-4897488-A | Process for the preparation of 2-chloro-5-methylpyridine | BAYER AKTIENGESELLSCHAFT (DE) | 1990-01-30 | — | — | US | disclosed |
| EP-0324174-A2 | Process for the preparation of 2-chloro-5-methylpyridine | BAYER AG (DE) | 1989-07-19 | — | — | EP | disclosed |