⚠ 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 | |
|---|---|---|---|---|
| N-Methyl Pyrrolidine (Nmp) SCHEMBL4901711 | 0.94 | CXCR4 (0.43) | — | |
| SCHEMBL4135000 | 0.94 | ALDH1A1 (0.47) | — | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL4124763 | 0.94 | ALDH1A1 (0.47) | — | |
| SCHEMBL17519525 | 0.92 | ALDH1A1 (0.44) | — | |
| SCHEMBL16790161 | 0.92 | ALDH1A1 (0.53) | — | |
| Methylpiperazine SCHEMBL7566544 | 0.92 | ALDH1A1 (0.53) | — | |
| SCHEMBL14299960 | 0.92 | ALDH1A1 (0.53) | — | |
| SCHEMBL14299867 | 0.92 | ALDH1A1 (0.53) | — | |
| N-Methylpiperidine SCHEMBL9009614 | 0.92 | ALDH1A1 (0.53) | — | |
| N-Methylpiperidine SCHEMBL1038414 | 0.92 | ALDH1A1 (0.53) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1406900-A1 | NOVEL COMPOUNDS, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2004-04-14 | — | — | EP | claimed |
| WO-2003004493-A1 | NOVEL COMPOUNDS, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2003-01-16 | — | — | WO | claimed |
| WO-2023215801-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. (US) | 2023-11-09 | — | — | WO | disclosed |
| EP-4219470-A1 | JAK1 SELECTIVE INHIBITORS | Astrazeneca AB (SE) | 2023-08-02 | — | — | EP | disclosed |
| EP-3838898-B1 | ISOINDOLIN-1-ONE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS AN EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER | KOREA RES INST CHEMICAL TECH (KR) | 2023-06-07 | — | — | EP | disclosed |
| WO-2023284730-A1 | ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS | NIKANG THERAPEUTICS, INC. (US) | 2023-01-19 | — | — | WO | disclosed |
| EP-4059932-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2022-09-21 | — | — | EP | disclosed |
| EP-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |
| US-20160159773-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-09 | — | — | US | disclosed |
| US-20150031661-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-01-29 | — | — | US | disclosed |
| US-8623903-B2 | Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2014-01-07 | — | — | US | disclosed |
| US-20090192129-A1 | BICYCLIC PYRROLE DERIVATIVES | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2009-07-30 | — | — | US | disclosed |
| US-20090192129-A1 | BICYCLIC PYRROLE DERIVATIVES | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2009-07-30 | — | — | US | disclosed |
| US-20090192138-A1 | COMPOUNDS | BAESCHLIN DANIEL KASPAR | 2009-07-30 | — | — | US | disclosed |
| US-20090192138-A1 | COMPOUNDS | BAESCHLIN DANIEL KASPAR | 2009-07-30 | — | — | US | disclosed |
| WO-2007071738-A1 | CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS | NOVARTIS AG (CH) | 2007-06-28 | — | — | WO | disclosed |
| EP-1406900-A1 | NOVEL COMPOUNDS, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003004493-A1 | NOVEL COMPOUNDS, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2003-01-16 | — | — | WO | disclosed |