⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6770232 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL27741826 | 0.89 | — | — | |
| Fluoride SCHEMBL21816906 | 0.89 | CA1 (0.57) | — | |
| Ethyne SCHEMBL27932680 | 0.84 | CA1 (0.53) | — | |
| Hydrazine SCHEMBL27364485 | 0.84 | CA1 (0.53) | — | |
| Ethylene SCHEMBL27518912 | 0.84 | CA1 (0.53) | — | |
| SCHEMBL10337645 | 0.80 | BCL2L1 (0.55) | — | |
| SCHEMBL197346 | 0.80 | BCL2L1 (0.55) | — | |
| SCHEMBL12562793 | 0.80 | BCL2L1 (0.55) | — | |
| SCHEMBL10300262 | 0.80 | BCL2L1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108658759-A | A kind of preparation method of 2,3- difluoro-benzoic acids | 河北凡克新材料有限公司 | 2018-10-16 | — | — | CN | claimed |
| EP-0876369-A1 | 2- 2- (2-HYDROXYETHYL)AMINO]ETHYL]-5- 2-METHYLAMINO)ETHYL]AMINO]INDAZOLO 4,3-gh]ISOQUINOLIN-6(2H)-ONE AS ANTITUMOR AGENT | BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) | 1998-11-11 | — | — | EP | claimed |
| WO-1997010245-A1 | 2-[2-[(2-HYDROXYETHYL)AMINO]ETHYL]-5-[[2-METHYLAMINO)ETHYL]AMINO]INDAZOLO[4,3-gh]ISOQUINOLIN-6(2H)-ONE AS ANTITUMOR AGENT | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1997-03-20 | — | — | WO | claimed |
| CN-108658759-A | A kind of preparation method of 2,3- difluoro-benzoic acids | 河北凡克新材料有限公司 | 2018-10-16 | — | — | CN | disclosed |
| EP-1010702-B1 | Process for preparing ortho-substituted aryl metal compounds and their conversion with electrophiles | MERCK PATENT GMBH (DE) | 2004-07-28 | — | — | EP | disclosed |
| EP-1010703-B1 | Process for preparing aryl metal compounds and their conversion with electrophiles | MERCK PATENT GMBH (DE) | 2004-02-25 | — | — | EP | disclosed |
| US-6420584-B1 | DEPROTONATION USING ALKYL- OR ARYLMETAL COMPOUNDS OR METAL HYDRIDES IN THE PRESENCE OF A CATALYTIC AMOUNT OF A SECONDARY METAL AMIDE. | MERCK PATENT GMBH (DE) | 2002-07-16 | — | — | US | disclosed |
| US-6207835-B1 | DEPROTONATION IN CONTINUOUS FLOW REACTOR | MERCK KGAA (DE) | 2001-03-27 | — | — | US | disclosed |
| EP-1010702-A2 | Process for preparing ortho-substituted aryl metal compounds and their conversion with electrophiles | MERCK PATENT GmbH (DE) | 2000-06-21 | — | — | EP | disclosed |
| EP-1010703-A2 | Process for preparing aryl metal compounds and their conversion with electrophiles | MERCK PATENT GmbH (DE) | 2000-06-21 | — | — | EP | disclosed |
| US-6034092-A | ANTITUMOR, ANTICANCER AGENTS | NOVUSPHARMA S.P.A. (IT) | 2000-03-07 | — | — | US | disclosed |
| EP-0876369-A1 | 2- 2- (2-HYDROXYETHYL)AMINO]ETHYL]-5- 2-METHYLAMINO)ETHYL]AMINO]INDAZOLO 4,3-gh]ISOQUINOLIN-6(2H)-ONE AS ANTITUMOR AGENT | BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) | 1998-11-11 | — | — | EP | disclosed |
| EP-0440082-B1 | Method for the conversion of fluorinated aromatic compounds using electrophiles | MERCK PATENT GMBH (DE) | 1998-04-15 | — | — | EP | disclosed |
| WO-1997010245-A1 | 2-[2-[(2-HYDROXYETHYL)AMINO]ETHYL]-5-[[2-METHYLAMINO)ETHYL]AMINO]INDAZOLO[4,3-gh]ISOQUINOLIN-6(2H)-ONE AS ANTITUMOR AGENT | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1997-03-20 | — | — | WO | disclosed |
| EP-0440082-A2 | Method for the conversion of fluorinated aromatic compounds using electrophiles | MERCK PATENT GmbH (DE) | 1991-08-07 | — | — | EP | disclosed |