⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1386963 | 1.00 | — | — | |
| SCHEMBL7317839 | 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005051917-A9 | PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS | AVENTIS PHARMA SA (FR) | 2005-09-29 | — | — | WO | claimed |
| WO-2024012519-A1 | PAN-KRAS INHIBITOR | 北京华森英诺生物科技有限公司 | 2024-01-18 | — | — | WO | disclosed |
| CN-116969977-A | PAN-KRAS inhibitors | 北京华森英诺生物科技有限公司 | 2023-10-31 | — | — | CN | disclosed |
| 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 |
| CN-116323590-A | Substituted benzo or pyridopyrimidine amine inhibitor, preparation method and application thereof | 苏州泽璟生物制药股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| WO-2023280317-A1 | BENZYLAMINO TRICYCLIC COMPOUND AND USE THEREOF | 南京明德新药研发有限公司 | 2023-01-12 | — | — | WO | 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 |
| CN-114907324-A | Substituted benzo or pyrido pyrimidine amine inhibitor and preparation method and application thereof | 苏州泽璟生物制药股份有限公司 | 2022-08-16 | — | — | CN | disclosed |
| WO-2022166920-A1 | PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州中美华东制药有限公司 | 2022-08-11 | — | — | WO | disclosed |
| CN-114380805-A | Substituted benzo or pyrido pyrimidine amine inhibitor and preparation method and application thereof | 苏州泽璟生物制药股份有限公司 | 2022-04-22 | — | — | CN | disclosed |
| WO-1997043287-A1 | CARBOLINE DERIVATIVES | ICOS CORPORATION (US) | 1997-11-20 | — | — | WO | disclosed |
| US-5607933-A | METHODS FOR TREATMENT OF GLAUCOMA AND FOR RELIEF OF PAIN AND RHEUMATIC AND INFLAMMATORY CONDITIONS BY ADMINISTERING THE INDOLES; N-HETERYL IS 2-PIPERAZINYL | STERLING WINTHROP INC. (US) | 1997-03-04 | — | — | US | disclosed |
| US-5324737-A | Analgesics, antirheumatic and antiinflammatory agents, glaucoma | STERLING WINTHROP INC. (US) | 1994-06-28 | — | — | US | disclosed |
| US-5068234-A | Analgesics, rheumatic diseases, antiinflammatory agents or antiglaucoma | STERLING DRUG INC. (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0444451-A2 | 3-Arylcarbonyl-1H-indoles useful as therapeutic agents | STERLING WINTHROP INC. (US) | 1991-09-04 | — | — | EP | 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 |
| US-4225608-A | ANTIDEPRESSANTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-09-30 | — | — | US | disclosed |
| US-4103019-A | ANTIINFLAMMATORY AGENTS, ANTIHISTAMINES, ANTIULCER AGENTS | LABORATORIOS LANDERLAN, S. A. (ES) | 1978-07-25 | — | — | US | disclosed |
| US-4022788-A | HYPERTENSIVE AGENT, SOFTENERS | E. R. SQUIBB & SONS, INC. (US) | 1977-05-10 | — | — | US | disclosed |