⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8976486 | 0.69 | — | — | |
| SCHEMBL375212 | 0.69 | — | — | |
| SCHEMBL6962139 | 0.65 | — | — | |
| SCHEMBL4930931 | 0.65 | — | — | |
| SCHEMBL6916587 | 0.64 | — | — | |
| SCHEMBL14640039 | 0.62 | — | — | |
| Trimethylammonium SCHEMBL160656 | 0.55 | — | — | |
| Trimethylammonium SCHEMBL9185431 | 0.55 | ALDH1A1 (0.30) | — | |
| SCHEMBL769166 | 0.51 | — | — | |
| SCHEMBL13278651 | 0.51 | — | — |
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 725 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3844159-B1 | NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN LA ROCHE (CH) | 2023-05-03 | — | — | EP | claimed |
| EP-3666767-B1 | PHTHALAZINONE DERIVATIVES, METHOD FOR THEIR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING THEM, AND THEIR USE | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2021-12-01 | — | — | EP | claimed |
| US-20210323977-A1 | PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2021-10-21 | — | — | US | claimed |
| EP-3844159-A1 | NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-07-07 | — | — | EP | claimed |
| US-11040952-B2 | Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2021-06-22 | — | — | US | claimed |
| WO-2021024141-A1 | PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE | LI XIAOXIANG (CN) | 2021-02-11 | — | — | WO | claimed |
| EP-3666767-A1 | PYRIDAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2020-06-17 | — | — | EP | claimed |
| US-20200181109-A1 | PHTHALAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2020-06-11 | — | — | US | claimed |
| WO-2020043271-A1 | NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2020-03-05 | — | — | WO | claimed |
| EP-3532519-A1 | AMPHIPHILIC BRANCHED POLYDIORGANOSILOXANE MACROMERS | Novartis AG (CH) | 2019-09-04 | — | — | EP | claimed |
| EP-1000055-A1 | SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS | G.D. Searle & Co. (US) | 2000-05-17 | — | — | EP | claimed |
| EP-0547165-B1 | Process for the Preparation of Water-Soluble Camptothecin Analogues, as well as the compounds 10-Hydroxy-11-C(1-6)-alkoxycamptothecin | SMITHKLINE BEECHAM CORP (US) | 1999-11-10 | — | — | EP | claimed |
| WO-1998052940-A1 | SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS | G.D. SEARLE AND CO. (US) | 1998-11-26 | — | — | WO | claimed |
| US-5635607-A | BLUE OR VIOLET COLOR DYE FOR DYEING PAPER, TEXTILES | CIBA-GEIGY CORPORATION (US) | 1997-06-03 | — | — | US | claimed |
| EP-0679691-A2 | Cationic or basic aminobenzthiazole dyestuffs | CIBA-GEIGY AG (CH) | 1995-11-02 | — | — | EP | claimed |
| EP-0547165-A4 | — | — | 1994-03-30 | — | — | EP | claimed |
| EP-0547165-A1 | WATER SOLUBLE CAMPTOTHECIN ANALOGUES, PROCESSES AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-06-23 | — | — | EP | claimed |
| WO-1992005785-A1 | WATER SOLUBLE CAMPTOTHECIN ANALOGUES, PROCESSES AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1992-04-16 | — | — | WO | claimed |
| WO-1991019715-A1 | 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-12-26 | — | — | WO | claimed |
| US-4472578-A | Benzo[a]phenazine antimicrobials | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 1984-09-18 | — | — | US | claimed |