⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7995235 | 0.77 | — | — | |
| SCHEMBL8163098 | 0.75 | — | — | |
| SCHEMBL10886655 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL10886660 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL101280 | 0.72 | — | — | |
| SCHEMBL2019340 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL18886592 | 0.71 | CA4 (0.37) | — | |
| Potassium Ion SCHEMBL1615163 | 0.71 | — | — | |
| SCHEMBL18917209 | 0.71 | CA4 (0.37) | — | |
| SCHEMBL11779420 | 0.71 | CA4 (0.37) | — |
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
Appears in 8752 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3782986-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-10 | — | — | EP | claimed |
| EP-3984994-B1 | SUBSTITUTED PIPERIDINE COMPOUND AS OREXIN TYPE 2 AGONIST FOR THE TREATMENT OF NARCOLEPSY | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-03 | — | — | EP | claimed |
| CN-118215662-A | Modulators of CCR6 receptors | 爱杜西亚药品有限公司 | 2024-06-18 | — | — | CN | claimed |
| CN-113272285-B | Oxadiazole-containing compound and pharmaceutical composition containing same | 爱思开生物制药株式会社 | 2024-06-07 | — | — | CN | claimed |
| US-20240182474-A1 | SUBSTITUTED IMIDAZO [1,2-b] PYRIDAZINES AND [1, 2, 4] TRIAZOLO [ 4,3-b] PYRIDAZINES AS CAMKII INHIBITORS | CARDURION PHARMACEUTICALS, INC. | 2024-06-06 | — | — | US | claimed |
| CN-117903132-A | Asymmetric total synthesis method of alkaloid MARTINELLIC ACID | 中国科学技术大学 | 2024-04-19 | — | — | CN | claimed |
| US-11939327-B2 | Heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2024-03-26 | — | — | US | claimed |
| WO-2024033845-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2024-02-15 | — | — | WO | claimed |
| EP-3660003-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-01-24 | — | — | EP | claimed |
| US-20240018163-A1 | NEW THIAZOLOPYRIMIDINONE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2024-01-18 | — | — | US | claimed |
| US-4210591-A | Indolinospiropyrane compounds | CIBA-GEIGY CORPORATION (US) | 1980-07-01 | — | — | US | claimed |
| US-4195090-A | ADRENERGIC BLOCKING AGENTS | CIBA-GEIGY CORPORATION (US) | 1980-03-25 | — | — | US | claimed |
| US-4154731-A | ANTISECRETORY AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1979-05-15 | — | — | US | claimed |
| US-4122257-A | Benzofuran-oxadiazole compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-10-24 | — | — | US | claimed |
| US-4105670-A | ANTISECRETORY, ANTIINFLAMMATORY, ANALGESIC, DECARBOXYLATION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1978-08-08 | — | — | US | claimed |
| US-4089546-A | AZINE COMPOUNDS | CIBA-GEIGY CORPORATION (US) | 1978-05-16 | — | — | US | claimed |
| US-4022763-A | Sulfaphenyl-azo-phenyl-azo-aminophenyl dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-05-10 | — | — | US | claimed |
| US-4005083-A | FUNGICIDES, BACTERICIDES AND PLANT GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-25 | — | — | US | claimed |
| US-3996213-A | TEXTILES | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-12-07 | — | — | US | claimed |
| US-3941780-A | FLUORESCENT DYES | SANDOZ LTD., (SANDOZ AG) (CH) | 1976-03-02 | — | — | US | claimed |