⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10181333 | 1.00 | — | — | |
| SCHEMBL16647405 | 0.97 | — | — | |
| SCHEMBL2510266 | 0.83 | — | — | |
| SCHEMBL2007351 | 0.73 | — | — | |
| Ethylenediamine SCHEMBL8645618 | 0.71 | — | — | |
| SCHEMBL17869056 | 0.71 | — | — | |
| SCHEMBL29372900 | 0.69 | CHRM1 (0.37) | — | |
| SCHEMBL23107035 | 0.69 | — | — | |
| SCHEMBL25614445 | 0.69 | — | — | |
| SCHEMBL9239148 | 0.67 | TSHR (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2149560-B1 | 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND | ASTELLAS PHARMA INC (JP) | 2015-05-13 | — | — | EP | disclosed |
| US-8263607-B2 | 1-substituted tetrahydroisoquinoline compound | ASTELLAS PHARMA INC. (JP) | 2012-09-11 | — | — | US | disclosed |
| US-20100168154-A1 | 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2010-07-01 | — | — | US | disclosed |
| WO-2010048332-A2 | COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS | ACUCELA, INC. (US) | 2010-04-29 | — | — | WO | disclosed |
| EP-2149560-A1 | 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND | Astellas Pharma Inc. (JP) | 2010-02-03 | — | — | EP | disclosed |
| US-7468371-B2 | Tricyclic pyrazole kinase inhibitors | ABBOTT LABORATORIES INC. (US) | 2008-12-23 | — | — | US | disclosed |
| US-20080027237-A1 | Processes for preparations of 9,11-epoxy steroids and intermediates useful therein | NG JOHN S | 2008-01-31 | — | — | US | disclosed |
| US-20080027237-A1 | Processes for preparations of 9,11-epoxy steroids and intermediates useful therein | NG JOHN S | 2008-01-31 | — | — | US | disclosed |