⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20491447 | 1.00 | — | — | |
| SCHEMBL12450123 | 1.00 | — | — | |
| SCHEMBL13893585 | 0.78 | — | — | |
| SCHEMBL13881419 | 0.78 | — | — | |
| SCHEMBL12820958 | 0.76 | — | — | |
| SCHEMBL13721696 | 0.76 | — | — | |
| SCHEMBL18570922 | 0.73 | — | — | |
| SCHEMBL15272399 | 0.72 | — | — | |
| SCHEMBL11984277 | 0.71 | — | — | |
| SCHEMBL8343412 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2017001733-A1 | BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS | ORION CORPORATION (FI) | 2017-01-05 | — | — | WO | disclosed |
| WO-2016138352-A1 | TYK2 INHIBITORS AND USES THEREOF | NIMBUS LAKSHMI, INC. (US) | 2016-09-01 | — | — | WO | disclosed |
| WO-2015199512-A1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 희성소재(주) | 2015-12-30 | — | — | WO | disclosed |
| WO-2014099586-A1 | 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014089364-A1 | HISTONE DEMETHYLASE INHIBITORS | QUANTICEL PHARMACEUTICALS, INC (US) | 2014-06-12 | — | — | WO | disclosed |
| WO-2013006738-A1 | COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES, INC. (US) | 2013-01-10 | — | — | WO | disclosed |
| WO-2013000267-A1 | AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 中国科学院上海药物研究所 (CN) | 2013-01-03 | — | — | WO | disclosed |
| US-8183374-B2 | Piperidine and piperazine derivatives | M'S SCIENCE CORPORATION (JP) | 2012-05-22 | — | — | US | disclosed |
| US-8183374-B2 | Piperidine and piperazine derivatives | M'S SCIENCE CORPORATION (JP) | 2012-05-22 | — | — | US | disclosed |
| WO-2012035421-A2 | PYRIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA L.P. (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012016217-A1 | AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME | RIGEL PHARMACEUTICALS, INC. (US) | 2012-02-02 | — | — | WO | disclosed |
| US-20100137334-A1 | Piperidine and Piperazine Derivatives | SUN CONNIE L | 2010-06-03 | — | — | US | disclosed |
| US-20100137334-A1 | Piperidine and Piperazine Derivatives | SUN CONNIE L | 2010-06-03 | — | — | US | disclosed |
| EP-1558607-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2010-05-05 | — | — | EP | disclosed |
| WO-2009097113-A2 | OXAZOLE AND THIAZOLE COMPOUNDS AS B-CATENIN MODULATORS AND USES THEREOF | NEW YORK UNIVERSITY (US) | 2009-08-06 | — | — | WO | disclosed |