⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4872099 | 0.95 | CYP2B6 (0.44) | — | |
| SCHEMBL285095 | 0.93 | CYP2B6 (0.47) | — | |
| SCHEMBL10647110 | 0.93 | CYP2B6 (0.47) | — | |
| SCHEMBL22939999 | 0.93 | CYP2B6 (0.47) | — | |
| SCHEMBL14723543 | 0.93 | CYP2B6 (0.47) | — | |
| Water SCHEMBL28907403 | 0.91 | CYP2B6 (0.46) | — | |
| SCHEMBL945421 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL28498519 | 0.88 | CYP19A1 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL28860953 | 0.88 | — | — | |
| SCHEMBL27449735 | 0.87 | CYP19A1 (0.36) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250304567-A1 | PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2025-10-02 | — | — | US | disclosed |
| CN-112521338-B | Spontaneous combustion ionic liquid containing tension ring structure and application | 郑州大学 | 2022-10-18 | — | — | CN | disclosed |
| CN-112521338-A | Spontaneous combustion ionic liquid containing tension ring structure and application | 郑州大学 | 2021-03-19 | — | — | CN | disclosed |
| EP-3733672-A1 | HETEROCYCLIC COMPOUNDS AND NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2020-11-04 | — | — | EP | disclosed |
| US-9771675-B2 | Patterned air-laid nonwoven fibrous webs and methods of making and using same | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2017-09-26 | — | — | US | disclosed |
| US-20140364415-A1 | PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS | PFIZER LIMITED (GB) | 2014-12-11 | — | — | US | disclosed |
| US-8846698-B2 | Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors | PFIZER LIMITED (US) | 2014-09-30 | — | — | US | disclosed |
| EP-2277551-B1 | CYCLODEXTRIN-BASED POLYMERS FOR DELIVERING THE THERAPEUTIC AGENTS COVALENTLY BOUND THERETO | CERULEAN PHARMA INC (US) | 2013-05-08 | — | — | EP | disclosed |
| US-20120258950-A1 | PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS | PFIZER LIMITED (GB) | 2012-10-11 | — | — | US | disclosed |
| CN-102596937-A | Compounds and compositions as protein kinase inhibitors | NOVARTIS AG | 2012-07-18 | — | — | CN | disclosed |
| WO-2012041504-A1 | AMATOXIN-CONJUGATES WITH IMPROVED LINKERS | HEIDELBERG PHARMA GMBH (DE) | 2012-04-05 | — | — | WO | disclosed |