⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8924372 | 0.91 | — | — | |
| SCHEMBL15266237 | 0.88 | CES2 (0.48) | — | |
| SCHEMBL3003455 | 0.88 | — | — | |
| SCHEMBL2349833 | 0.88 | CES2 (0.48) | — | |
| SCHEMBL7509676 | 0.80 | — | — | |
| SCHEMBL3649824 | 0.76 | CYP2C19 (0.33) | — | |
| SCHEMBL1353582 | 0.73 | CES1 (0.47) | — | |
| SCHEMBL4244087 | 0.73 | CES1 (0.47) | — | |
| SCHEMBL962359 | 0.73 | — | — | |
| SCHEMBL256001 | 0.73 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117384079-B | Chiral N-alkyl indole compound and preparation method and application thereof | 云南大学 | 2024-05-24 | — | — | CN | disclosed |
| CN-117384079-A | Chiral N-alkyl indole compound and preparation method and application thereof | 云南大学 | 2024-01-12 | — | — | CN | disclosed |
| EP-3464296-B1 | ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2020-10-14 | — | — | EP | disclosed |
| US-20200317690-A1 | NOVEL ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-10-08 | — | — | US | disclosed |
| WO-2019009956-A1 | FE/CU-MEDIATED KETONE SYNTHESIS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2019-01-10 | — | — | WO | disclosed |
| EP-2943474-B1 | BIARYL- OR HETEROCYCLIC BIARYL-SUBSTITUTED CYCLOHEXENE DERIVATIVE COMPOUNDS AS CETP INHIBITORS | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2017-07-05 | — | — | EP | disclosed |
| US-20160264594-A1 | MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2016-09-15 | — | — | US | disclosed |
| WO-2008013334-A1 | DEFORMYLASE INHIBITOR, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION COMPRISING THE SAME | PROMEDITECH INC. (KR) | 2008-01-31 | — | — | WO | disclosed |
| US-4748145-A | Catalysts having alkoxide-modified supports and method of increasing the catalytic activity of a catalytic metal | THE DOW CHEMICAL COMPANY (US) | 1988-05-31 | — | — | US | disclosed |
| US-4743705-A | FROM HALOALKENE, ALCOHOL OR ETHER, CARBON MONOXIDE | THE DOW CHEMICAL COMPANY (US) | 1988-05-10 | — | — | US | disclosed |
| US-4686314-A | CALCINING METAL ALKOXIDE TO GLUE METAL OXIDE | THE DOW CHEMICAL COMPANY (US) | 1987-08-11 | — | — | US | disclosed |
| EP-0225953-A1 | Catalysts having alkoxide-modified supports | THE DOW CHEMICAL COMPANY (US) | 1987-06-24 | — | — | EP | disclosed |