⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL145412 | 0.81 | PNMT (0.52) | — | |
| SCHEMBL103517 | 0.81 | PNMT (0.52) | — | |
| SCHEMBL6293496 | 0.71 | CA12 (0.38) | — | |
| SCHEMBL5420509 | 0.70 | — | — | |
| SCHEMBL5141945 | 0.70 | AHR (0.37) | — | |
| SCHEMBL26613460 | 0.70 | CA12 (0.37) | — | |
| SCHEMBL34907 | 0.69 | — | — | |
| SCHEMBL13590042 | 0.68 | PNMT (0.65) | — | |
| SCHEMBL29351494 | 0.68 | — | — | |
| SCHEMBL10612 | 0.68 | — | — |
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 360 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118076602-A | Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses | 嘉兴优博生物技术有限公司 | 2024-05-24 | — | — | CN | claimed |
| US-20240101546-A1 | HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS | EUBULUS BIOTHERAPEUTICS INC (CN) | 2024-03-28 | — | — | US | claimed |
| US-11713327-B2 | Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease | HOFFMANN-LA ROCHE INC. (US) | 2023-08-01 | — | — | US | claimed |
| EP-3953356-B1 | HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN LA ROCHE (CH) | 2023-07-26 | — | — | EP | claimed |
| EP-3953356-A1 | HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2022-02-16 | — | — | EP | claimed |
| CN-113710672-A | hexahydro-1H-pyrazino [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2021-11-26 | — | — | CN | claimed |
| US-20210300947-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2021-09-30 | — | — | US | claimed |
| EP-3807270-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-04-21 | — | — | EP | claimed |
| CN-112313228-A | Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2021-02-02 | — | — | CN | claimed |
| WO-2020207991-A1 | HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2020-10-15 | — | — | WO | claimed |
| CN-110669058-A | Tricyclic quinolone carboxylic acid and preparation method thereof | 江西农业大学 | 2020-01-10 | — | — | CN | claimed |
| WO-2019238616-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | claimed |
| US-20240238460-A1 | IMPROVED PROSTATE-SPECIFIC MEMBRANE ANTIGEN TARGETING RADIOPHARMACEUTICALS AND USES THEREOF | TELIX PHARMACEUTICALS INNOVATIONS PTY LTD (AU) | 2024-07-18 | — | — | US | disclosed |
| US-12030866-B2 | 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD | SPRINGWORKS THERAPEUTICS, INC. (US) | 2024-07-09 | — | — | US | disclosed |
| US-12024595-B2 | Polymer composition | BASF SE (DE) | 2024-07-02 | — | — | US | disclosed |
| WO-2024115733-A1 | FUSED PYRROLYL-SULFONAMIDE COMPOUNDS | REWIND THERAPEUTICS NV (BE) | 2024-06-06 | — | — | WO | disclosed |
| CN-1120837-A | Pyrazole derivatives | NISSAN CHEMICAL IND LTD (JP) | 1996-04-17 | — | — | CN | disclosed |
| EP-0693480-A1 | PYRAZOLE DERIVATIVE | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1996-01-24 | — | — | EP | disclosed |
| EP-0680469-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | Dr. Karl Thomae GmbH (DE) | 1995-11-08 | — | — | EP | disclosed |
| WO-1994017035-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | DR. KARL THOMAE GMBH (DE) | 1994-08-04 | — | — | WO | disclosed |