⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29058177 | 0.96 | — | — | |
| SCHEMBL1718237 | 0.90 | ACHE (0.50) | — | |
| SCHEMBL22802540 | 0.87 | ACHE (0.47) | — | |
| SCHEMBL20302438 | 0.87 | ACHE (0.47) | — | |
| SCHEMBL5547837 | 0.83 | TEAD4 (0.58) | — | |
| SCHEMBL3103756 | 0.81 | TSHR (0.46) | — | |
| P-Xylene SCHEMBL6903773 | 0.79 | ACHE (0.80) | — | |
| P-Xylene SCHEMBL7628214 | 0.79 | ACHE (0.80) | — | |
| SCHEMBL14855596 | 0.79 | ALDH1A1 (0.76) | — | |
| P-Xylene SCHEMBL771 | 0.78 | — | — |
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 24647 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 |
|---|---|---|---|---|---|---|---|
| WO-2024149366-A1 | METHOD FOR PREPARING INTERMEDIATE OF ROCK INHIBITOR | 武汉朗来科技发展有限公司 | 2024-07-18 | — | — | WO | claimed |
| EP-4399212-A1 | SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2024-07-17 | — | — | EP | claimed |
| EP-4121802-B1 | HIGH REFRACTIVE INDEX SILOXANE INSERT MATERIALS FOR EMBEDDED CONTACT LENSES | ALCON INC (CH) | 2024-07-17 | — | — | EP | claimed |
| CN-118344340-A | Quinolinone compound containing 1,2, 4-triazole or 1,3, 4-oxadiazole structure and preparation and application thereof | 贵州大学 | 2024-07-16 | — | — | CN | claimed |
| CN-118324823-A | Heterofluorene rare earth compound, preparation method thereof and application thereof in olefin polymerization | 中国科学院长春应用化学研究所 | 2024-07-12 | — | — | CN | claimed |
| US-20240218022-A1 | ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2024-07-04 | — | — | US | claimed |
| CN-118271331-A | Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation | 赣江中药创新中心 | 2024-07-02 | — | — | CN | claimed |
| WO-2024133200-A1 | P2X3 RECEPTOR ANTAGONISTS | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) | 2024-06-27 | — | — | WO | claimed |
| US-20240207253-A1 | Inhibitors of CDR1 for Reversal of Azole Drug Resistance in Fungal Infections | THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS | 2024-06-27 | — | — | US | claimed |
| EP-4389746-A2 | P2X3 RECEPTOR ANTAGONISTS | Recordati Industria Chimica E Farmaceutica SPA (IT) | 2024-06-26 | — | — | EP | claimed |
| US-4036840-A | ENZYME INHIBITORS | ICN PHARMACEUTICALS (US) | 1977-07-19 | — | — | US | claimed |
| US-4033940-A | TERMINAL CYSTINE, REARRANGEMENT TO CYCLIC DISULFIDE | ARMOUR PHARMACEUTICAL COMPANY (US) | 1977-07-05 | — | — | US | claimed |
| US-4031215-A | STREPTOMYCES, ALDOL CONDENSATION | KAKEN CHEMICAL CO., LTD. (JA) | 1977-06-21 | — | — | US | claimed |
| US-4017468-A | IMIDE-MODIFIED TERPOLYMERSSULFUR-CURED RUBBER, TIRES | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1977-04-12 | — | — | US | claimed |
| US-4012383-A | BACTERICIDES | BRISTOL-MYERS COMPANY (US) | 1977-03-15 | — | — | US | claimed |
| US-4000141-A | SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-28 | — | — | US | claimed |
| US-3996259-A | QUATERNARY AMMONIUM OR PHOSPHONIUM SALT | THE DOW CHEMICAL COMPANY (US) | 1976-12-07 | — | — | US | claimed |
| US-3992405-A | ESPECIALLY FOR DYEING POLYACRYLIC FIBERS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-16 | — | — | US | claimed |
| US-3980797-A | Hexahydro-diazepino-indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-09-14 | — | — | US | claimed |
| US-3979390-A | Butyrophenone derivatives and production thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-09-07 | — | — | US | claimed |