⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2867312 | 0.75 | — | — | |
| SCHEMBL28433371 | 0.75 | — | — | |
| SCHEMBL9171011 | 0.75 | — | — | |
| SCHEMBL8027929 | 0.72 | HTT (0.33) | — | |
| SCHEMBL10291272 | 0.72 | — | — | |
| SCHEMBL8617011 | 0.72 | HTT (0.33) | — | |
| SCHEMBL2863585 | 0.71 | — | — | |
| SCHEMBL16877169 | 0.71 | — | — | |
| SCHEMBL1830167 | 0.69 | — | — | |
| SCHEMBL12477348 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | claimed |
| US-8399462-B2 | 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain | ROCHE PALO ALTO LLC (US) | 2013-03-19 | — | — | US | claimed |
| US-20080146565-A1 | JNK modulators | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | claimed |
| US-20240010647-A1 | SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS | NEUROCRINE BIOSCIENCES, INC. | 2024-01-11 | — | — | US | disclosed |
| US-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | disclosed |
| US-20100247058-A1 | RESIN COMPOSITION FOR OPTICAL WAVEGUIDE AND OPTICAL WAVEGUIDE | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2010-09-30 | — | — | US | disclosed |
| EP-2211214-A1 | RESIN COMPOSITION FOR OPTICAL WAVEGUIDE AND OPTICAL WAVEGUIDE | Hitachi Chemical Company, Ltd. (JP) | 2010-07-28 | — | — | EP | disclosed |
| WO-2010025871-A1 | 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |
| EP-2161259-A1 | 4-Haloalkyl substituted Diaminopyrimidine | Bayer CropScience AG (DE) | 2010-03-10 | — | — | EP | disclosed |
| CN-101454320-A | Pyridine[3,4-b]pyrazinones | PFIZER PROD INC (US) | 2009-06-10 | — | — | CN | disclosed |
| WO-2008071766-A2 | SPIRO-INDENE SUBSTITUTED IMIDAZONAPHYTHYRIDINE AND PYRANOIMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF GASTRIC ACID SECRETION | NYCOMED GMBH (DE) | 2008-06-19 | — | — | WO | disclosed |
| EP-1899341-A1 | SPIRO-IMIDAZNAPHTHYRIDINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS | Nycomed GmbH (DE) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006134112-A1 | SPIRO-IMIDAZNAPHTHYRIDINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS | NYCOMED GMBH (DE) | 2006-12-21 | — | — | WO | disclosed |