⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2186122 | 0.81 | QPCT (0.37) | — | |
| SCHEMBL4267268 | 0.79 | — | — | |
| SCHEMBL25270 | 0.79 | QPCT (0.38) | — | |
| SCHEMBL7812595 | 0.79 | QPCT (0.38) | — | |
| SCHEMBL27889965 | 0.77 | — | — | |
| SCHEMBL28055211 | 0.77 | QPCT (0.36) | — | |
| SCHEMBL255373 | 0.77 | — | — | |
| SCHEMBL13685027 | 0.77 | — | — | |
| SCHEMBL411098 | 0.76 | — | — | |
| SCHEMBL26238 | 0.75 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117304130-A | MCL-1 inhibitors | 吉利德科学公司 | 2023-12-29 | — | — | CN | disclosed |
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| CN-116568675-A | Cyclic isothiourea derivatives as CXCR4 modulators | 埃尔米乌治疗公司 | 2023-08-08 | — | — | CN | disclosed |
| CN-112118845-B | MCL-1 inhibitors | 吉利德科学公司 | 2023-06-13 | — | — | CN | disclosed |
| US-20220177460-A1 | HMOX1 INDUCERS | Astellas Engineered Small Molecules US, Incorporated | 2022-06-09 | — | — | US | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |
| CN-109942576-B | Irbinitinib and preparation method of intermediate | 上海工程技术大学 | 2020-09-11 | — | — | CN | disclosed |
| US-10588962-B2 | Carbohydrate-glycolipid conjugate vaccines | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2020-03-17 | — | — | US | disclosed |
| US-20180105508-A1 | INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2018-04-19 | — | — | US | disclosed |
| US-8138344-B2 | Process for the preparation of rapamycin derivatives | NOVARTIS AG (CH) | 2012-03-20 | — | — | US | disclosed |
| US-8138344-B2 | Process for the preparation of rapamycin derivatives | NOVARTIS AG (CH) | 2012-03-20 | — | — | US | disclosed |
| US-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-07-21 | — | — | US | disclosed |
| US-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-07-21 | — | — | US | disclosed |
| WO-2010074764-A1 | SYNTHESIS OF OLIGOMERIC NEOLIGNANS AND THEIR USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2010-07-01 | — | — | WO | disclosed |
| WO-2010032856-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | 武田薬品工業株式会社 (JP) | 2010-03-25 | — | — | WO | disclosed |
| US-20090012298-A1 | Process for the Preparation of Rapamycin Derivatives | NOVARTIS AG (CH) | 2009-01-08 | — | — | US | disclosed |
| US-20090012298-A1 | Process for the Preparation of Rapamycin Derivatives | NOVARTIS AG (CH) | 2009-01-08 | — | — | US | disclosed |
| WO-2007085400-A1 | PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES | NOVARTIS AG (CH) | 2007-08-02 | — | — | WO | disclosed |
| CN-86108161-A | Fly attracting composition | — | 1988-06-08 | — | — | CN | disclosed |