⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2818597 | 0.78 | TSHR (0.63) | — | |
| Water SCHEMBL19410621 | 0.78 | TSHR (0.63) | — | |
| SCHEMBL57480 | 0.78 | TSHR (0.63) | — | |
| Water SCHEMBL27896186 | 0.78 | TSHR (0.63) | — | |
| SCHEMBL29352197 | 0.78 | TSHR (0.63) | — | |
| SCHEMBL5546112 | 0.77 | SMN1; SMN2 (0.40) | — | |
| Formaldehyde SCHEMBL28231823 | 0.77 | TSHR (0.55) | — | |
| Hydrochloric Acid SCHEMBL8884007 | 0.76 | TSHR (0.60) | — | |
| SCHEMBL10899986 | 0.76 | TSHR (0.60) | — | |
| SCHEMBL3959857 | 0.76 | TSHR (0.60) | — |
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 5806 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 |
|---|---|---|---|---|---|---|---|
| US-20240218022-A1 | ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2024-07-04 | — | — | US | claimed |
| CN-118255692-A | Photosensitizer with targeted tumor lipid drops and preparation method and application thereof | 东南大学 | 2024-06-28 | — | — | CN | claimed |
| EP-3849664-B1 | PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2024-06-12 | — | — | EP | claimed |
| CN-117398812-A | Quenching absorption method for aromatic hydrocarbon ammoxidation reaction gas | 万华化学集团股份有限公司 | 2024-01-16 | — | — | CN | claimed |
| US-20240002344-A1 | COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION | FIBROGEN, INC. | 2024-01-04 | — | — | US | claimed |
| EP-4273147-A1 | SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2023-11-08 | — | — | EP | claimed |
| US-20230339904-A1 | ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS | BIOTHERYX, INC. | 2023-10-26 | — | — | US | claimed |
| CN-116903480-A | Method for preparing beta-enaminone based on sulfoxide and aldoxime and beta-enaminone | 盐城师范学院 | 2023-10-20 | — | — | CN | claimed |
| WO-2023159155-A1 | INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF | PIVALENT THERAPEUTICS, INC. (US) | 2023-08-24 | — | — | WO | claimed |
| EP-3575281-B1 | DIAMINE COMPOUND, AND POLYIMIDE COMPOUND AND MOLDED ARTICLE IN WHICH SAID DIAMINE COMPOUND IS USED | WINGO TECH CO LTD (JP) | 2023-08-23 | — | — | EP | claimed |
| EP-0025345-A1 | N-cyanoalkyl haloacetamides, preparation thereof, use thereof as herbicide antidotes and compositions comprising same | STAUFFER CHEMICAL COMPANY (US) | 1981-03-18 | — | — | EP | claimed |
| US-4243405-A | HYDROXYALKYLTRIAZOLES AND DERIVATIVES, PLANT GROWTH REGULATORS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-01-06 | — | — | US | claimed |
| EP-0001682-A2 | Heterocyclic compounds and their use as pesticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-05-02 | — | — | EP | claimed |
| US-4075340-A | ANTIINFLAMMATORY, ANTIARRYTHMIC, ANTICOAGULANTS | PARCOR (FR) | 1978-02-21 | — | — | US | claimed |
| US-4022799-A | DYEING, PRINTING OF NATURAL AND SYNTHETIC MATERIALS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-05-10 | — | — | US | claimed |
| US-4022897-A | 4H-PYRIDO(1,2-A) PYRIMIDIN-4-ONE DERIVATIVES | E. R. SQUIBB & SONS, INC. (US) | 1977-05-10 | — | — | US | claimed |
| US-4017631-A | MICROBIOCIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1977-04-12 | — | — | US | claimed |
| US-4001253-A | NAPHTHOLACTAM DYESTUFFS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-04 | — | — | US | claimed |
| US-3991202-A | ANTIMICROBIALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1976-11-09 | — | — | US | claimed |
| US-3950347-A | NAPHTHOLACTAM DYESTUFFS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-13 | — | — | US | claimed |