⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5328615 | 0.86 | — | — | |
| SCHEMBL29648909 | 0.77 | — | — | |
| SCHEMBL20181185 | 0.76 | — | — | |
| SCHEMBL21338975 | 0.76 | — | — | |
| SCHEMBL21338973 | 0.76 | — | — | |
| SCHEMBL4662119 | 0.74 | — | — | |
| SCHEMBL4660656 | 0.74 | — | — | |
| SCHEMBL22810507 | 0.71 | — | — | |
| SCHEMBL22332820 | 0.71 | — | — | |
| SCHEMBL21339139 | 0.70 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250320213-A1 | Nitrogen-Containing Heterocyclic Compounds | PFIZER INC. (US) | 2025-10-16 | — | — | US | disclosed |
| CN-115925697-B | Small molecule immunoregulation inhibitor and pharmaceutical composition and application thereof | 昆药集团股份有限公司 | 2025-05-09 | — | — | CN | disclosed |
| WO-2023016527-A1 | CLASS OF BENZOXAZINE SPIRO COMPOUNDS AND PREPARATION METHOD THEREFOR | 南京明德新药研发有限公司 | 2023-02-16 | — | — | WO | disclosed |
| WO-2021147974-A1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2021-07-29 | — | — | WO | disclosed |
| US-11014922-B2 | Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-05-25 | — | — | US | disclosed |
| WO-2019155399-A1 | TETRAHYDROQUINAZOLINE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER INC. (US) | 2019-08-15 | — | — | WO | disclosed |
| US-20170313989-A1 | INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES | CHILDREN'S MEDICAL CENTER CORPORATION (US) | 2017-11-02 | — | — | US | disclosed |
| US-9670463-B2 | Inhibition and enhancement of reprogramming by chromatin modifying enzymes | CHILDREN'S MEDICAL CENTER CORPORATION (US) | 2017-06-06 | — | — | US | disclosed |
| EP-2838898-A1 | SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | Advinus Therapeutics Limited (IN) | 2015-02-25 | — | — | EP | disclosed |
| WO-2013157022-A1 | SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | ADVINUS THERAPEUTICS LIMITED (IN) | 2013-10-24 | — | — | WO | disclosed |
| EP-2537845-A1 | 6H-dibenzo[B,E]oxepine derived nonsteroidal mineralocorticoid receptor antagonists | Eli Lilly and Company (US) | 2012-12-26 | — | — | EP | disclosed |
| US-8003785-B2 | Halo-substituted pyrimidodiazepines | TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) | 2011-08-23 | — | — | US | disclosed |
| US-20090318408-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-24 | — | — | US | disclosed |
| WO-2009153197-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |