⚠ 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 | |
|---|---|---|---|---|
| Bromomethane SCHEMBL27781811 | 0.95 | MCL1 (0.39) | — | |
| SCHEMBL30073654 | 0.79 | — | — | |
| SCHEMBL1330269 | 0.79 | — | — | |
| SCHEMBL254861 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28691235 | 0.77 | CYP3A4 (0.50) | — | |
| SCHEMBL18970409 | 0.77 | TAAR1 (0.50) | — | |
| SCHEMBL22482119 | 0.77 | PTGS1 (0.46) | — | |
| Methylamine SCHEMBL27846877 | 0.75 | CYP3A4 (0.54) | — | |
| SCHEMBL31633797 | 0.75 | — | — | |
| SCHEMBL18867943 | 0.75 | — | — |
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 356 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112573990-B | Preparation method of 4-halogenated-3-fluorotoluene | 沈阳中化农药化工研发有限公司 | 2022-05-06 | — | — | 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 |
| CN-1196055-A | 2-[[2-(2-hydroxyethyl) amino] ethyl]-5-[[2-methylamino) ethyl] amino] [4,3-gh] isoquinolin-6(2H)-one as antitumor agent | BOEHRINGER MANNHEIM ITALIA (IT) | 1998-10-14 | — | — | CN | claimed |
| EP-0657407-B1 | Process for the preparation of 3-fluoro-4,6-dichlorotoluene | BAYER AG (DE) | 1997-12-10 | — | — | 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 |
| US-5475164-A | Process for preparing 3-fluoro-4,6-dichlorotoluene | BAYER AKTIENGESELLSCHAFT (DE) | 1995-12-12 | — | — | US | claimed |
| EP-0657407-A1 | Process for the preparation of 3-fluoro-4,6-dichlorotoluene | BAYER AG (DE) | 1995-06-14 | — | — | EP | claimed |
| JP-5320079-A | — | — | None | — | — | JP | disclosed |
| JP-9002985-A | — | — | None | — | — | JP | disclosed |
| JP-7188076-A | — | — | None | — | — | JP | disclosed |
| CN-118239819-A | Method for preparing 4-halogenated-3-fluorotoluene | 沈阳中化农药化工研发有限公司 | 2024-06-25 | — | — | CN | disclosed |
| US-20240067623-A1 | [(1-PHENYL-5-HETEROARYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2024-02-29 | — | — | US | disclosed |
| WO-2024040080-A1 | KRAS INHIBITOR CONJUGATES | ERASCA, INC. (US) | 2024-02-22 | — | — | WO | disclosed |
| US-5475164-A | Process for preparing 3-fluoro-4,6-dichlorotoluene | BAYER AKTIENGESELLSCHAFT (DE) | 1995-12-12 | — | — | US | disclosed |
| US-5475164-A | Process for preparing 3-fluoro-4,6-dichlorotoluene | BAYER AKTIENGESELLSCHAFT (DE) | 1995-12-12 | — | — | US | disclosed |
| JP-H07188076-A | PRODUCTION OF 3-FLUORO-4,6-DICHLOROTOLUENE | BAYER AG | 1995-07-25 | — | — | JP | disclosed |
| EP-0657407-A1 | Process for the preparation of 3-fluoro-4,6-dichlorotoluene | BAYER AG (DE) | 1995-06-14 | — | — | EP | disclosed |
| EP-0657407-A1 | Process for the preparation of 3-fluoro-4,6-dichlorotoluene | BAYER AG (DE) | 1995-06-14 | — | — | EP | disclosed |
| WO-1995012417-A1 | ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS | ACEA PHARMACEUTICALS, INC. (US) | 1995-05-11 | — | — | WO | disclosed |
| JP-H05320079-A | METHOD FOR SEPARATING 2-CHLORO-4-FLUOROTOLUENE | TORAY IND INC | 1993-12-03 | — | — | JP | disclosed |