⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4048423 | 1.00 | — | — | |
| SCHEMBL1386963 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2291614 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL2222374 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL5861854 | 0.98 | — | — | |
| SCHEMBL28861635 | 0.93 | — | — | |
| SCHEMBL28861686 | 0.93 | — | — | |
| SCHEMBL1928665 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL3452315 | 0.91 | CYP1A2 (0.53) | — | |
| SCHEMBL7327135 | 0.89 | CYP1A2 (0.40) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115215800-B | Dibenzocyclyl-cyclic amino ether derivative or salt, and preparation method and application thereof | 赣江中药创新中心 | 2023-07-18 | — | — | CN | disclosed |
| EP-3733663-B1 | 1-[6-[[4-(PHENYLAMINO)-6-QUINAZOLINYL]OXY]-3-AZABICYCLO[3.1.1]HEPT-3-YL]-2-PROPEN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS IRREVERSIBLE INHIBITORS OF PAN-HER TYROSINE KINASE FOR THE TREATMENT OF CANCER | CHENGDU JINRUI FOUND BIOTECH CO LTD (CN) | 2023-05-17 | — | — | EP | disclosed |
| CN-115215800-A | Dibenzocyclyl-cyclic amino ether derivative or salt and preparation method and application thereof | 赣江中药创新中心 | 2022-10-21 | — | — | CN | disclosed |
| US-20210078958-A1 | QUINAZOLINE DERIVATIVE AND USE THEREOF | MEDSHINE DISCOVERY INC. (CN) | 2021-03-18 | — | — | US | disclosed |
| EP-3733663-A1 | QUINAZOLINE DERIVATIVE AND USE THEREOF | Medshine Discovery Inc. (CN) | 2020-11-04 | — | — | EP | disclosed |
| US-20190169181-A1 | FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME | ZAFGEN, INC. | 2019-06-06 | — | — | US | disclosed |
| US-20190169181-A1 | FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME | ZAFGEN, INC. | 2019-06-06 | — | — | US | disclosed |
| WO-2018031877-A1 | FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME | ZAFGEN, INC. (US) | 2018-02-15 | — | — | WO | disclosed |
| US-4902684-A | Benzazepine and benzothiazepine derivatives | E. R. SQUIBB & SONS, INC. (US) | 1990-02-20 | — | — | US | disclosed |
| WO-1989012633-A1 | BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES | E.R. SQUIBB & SONS, INC. (US) | 1989-12-28 | — | — | WO | disclosed |