⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2945571 | 0.79 | — | — | |
| SCHEMBL8880898 | 0.75 | — | — | |
| SCHEMBL8880192 | 0.75 | — | — | |
| SCHEMBL28720950 | 0.75 | — | — | |
| SCHEMBL60891 | 0.72 | — | — | |
| SCHEMBL8880446 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL23215351 | 0.68 | — | — | |
| SCHEMBL224657 | 0.68 | — | — | |
| SCHEMBL5376851 | 0.68 | — | — | |
| SCHEMBL180124 | 0.68 | — | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011524396-A | — | — | 2011-09-01 | — | — | JP | claimed |
| US-20090318493-A1 | Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2009-12-24 | — | — | US | claimed |
| WO-2009153178-A2 | ARYL KETONE AS MRI | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | claimed |
| EP-0058373-A1 | Substituted aliphatic secondary amines and their salts, pharmaceutical compositions containing them and their use | CIBA-GEIGY AG (CH) | 1982-08-25 | — | — | EP | claimed |
| EP-2684871-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2014-01-15 | — | — | EP | disclosed |
| US-8513425-B2 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC (US) | 2013-08-20 | — | — | US | disclosed |
| EP-2354124-B1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2013-02-13 | — | — | EP | disclosed |
| US-20120065225-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF | IYER PRAVIN (US) | 2012-03-15 | — | — | US | disclosed |
| US-8084623-B2 | heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents | ROCHE PALO ALTO LLC (US) | 2011-12-27 | — | — | US | disclosed |
| EP-2354124-A2 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2011-08-10 | — | — | EP | disclosed |
| US-20090318493-A1 | Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2009-12-24 | — | — | US | disclosed |
| WO-2009153178-A2 | ARYL KETONE AS MRI | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |
| US-5219852-A | Hypoglycemic agents, treatment of diabetes and obesity | DR. KARL THOMAE GMBH (DE) | 1993-06-15 | — | — | US | disclosed |
| US-4886814-A | LOWER BLOOD SUGAR | DR. KARL THOMAS GMBH (DE) | 1989-12-12 | — | — | US | disclosed |
| US-4831027-A | USEFUL IN TREATMENT OF CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1989-05-16 | — | — | US | disclosed |
| US-4448776-A | Method of using certain substituted aliphatic secondary amines or their salts for easing breathing | BUCHER KARL (CH) | 1984-05-15 | — | — | US | disclosed |
| US-4395415-A | VACUUM DEPOSITION OF FERROMAGNETIC METAL LAYERS ON POLYMERIC SUBSTRATE; MAGNETIC TAPES; HIGH SPEED | BASF AKTIENGESELLSCHAFT (DE) | 1983-07-26 | — | — | US | disclosed |
| EP-0058373-A1 | Substituted aliphatic secondary amines and their salts, pharmaceutical compositions containing them and their use | CIBA-GEIGY AG (CH) | 1982-08-25 | — | — | EP | disclosed |
| US-4329347-A | Cardiotonic and antithrombotic sulfur-containing derivatives of carbostyril | BOEHRINGER INGELHEIM GMBH (DE) | 1982-05-11 | — | — | US | disclosed |
| EP-0040344-A2 | 4-Nitro-2-trichloromethyl benzene sulphenic acid derivative, process for its preparation and fungicides containing it | BASF Aktiengesellschaft (DE) | 1981-11-25 | — | — | EP | disclosed |