⚠ 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 | |
|---|---|---|---|---|
| Isothiazole SCHEMBL642842 | 1.00 | — | — | |
| Isothiazole SCHEMBL27729992 | 0.96 | — | — | |
| Isothiazole SCHEMBL28200799 | 0.96 | — | — | |
| Benzene SCHEMBL27379971 | 0.96 | — | — | |
| Isothiazole SCHEMBL28981301 | 0.96 | — | — | |
| Isothiazole SCHEMBL28063961 | 0.96 | — | — | |
| Isothiazole SCHEMBL9391996 | 0.96 | — | — | |
| Isothiazole SCHEMBL30450994 | 0.96 | — | — | |
| Isothiazole SCHEMBL28168124 | 0.96 | — | — | |
| Isothiazole SCHEMBL27525564 | 0.96 | — | — |
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 111146 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-20260146050-A1 | KRAS DEGRADING COMPOUNDS COMPRISING SPIROCYCLIC ANNULATED 2 AMINO-3-CYANO THIOPHENES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2026-05-28 | — | — | US | claimed |
| US-20260146049-A1 | SPIROCYCLIC ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2026-05-28 | — | — | US | claimed |
| US-20260146035-A1 | FUSED BICYCLIC COMPOUNDS AND THEIR USE AS MER AND AXL INHIBITORS | DONG-A ST CO., LTD. (KR) | 2026-05-28 | — | — | US | claimed |
| CN-122080076-A | Organometallic compound, organic light-emitting device including the same, and electronic apparatus including the organic light-emitting device | — | 2026-05-26 | — | — | CN | claimed |
| CN-122071475-A | Ternary condensed ring derivative and medical application thereof | 杭州百新生物医药科技有限公司 | 2026-05-22 | — | — | CN | claimed |
| WO-2026106499-A1 | OREXIN RECEPTOR ANTAGONISTS: 2-AZABICYCLIC COMPOUNDS | BIAL - PORTELA & CA., S.A. (PT) | 2026-05-21 | — | — | WO | claimed |
| US-20260137650-A1 | MODULATORS OF RAR RELATED ORPHAN RECEPTORS (RORs) | 11949098 CANADA INC (CA) | 2026-05-21 | — | — | US | claimed |
| US-20260137666-A1 | N-methyl-D-aspartic Acid Receptor Modulators | EMORY UNIV (US) | 2026-05-21 | — | — | US | claimed |
| EP-4743120-A1 | MOLECULAR DEGRADERS FOR THE TREATMENT OF IGA NEPHROPATHY | Biohaven Therapeutics Ltd. (VG) | 2026-05-20 | — | — | EP | claimed |
| EP-4105216-B1 | DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | GENFLEET THERAPEUTICS SHANGHAI INC (CN) | 2026-05-20 | — | — | EP | claimed |
| US-4085098-A | Azo dyes containing a heterocyclic ring having a quaternized nitrogen atom and at least one optionally substituted phenoxyalkyl or naphthyloxyalkyl substituent | SANDOZ LTD. (CH) | 1978-04-18 | — | — | US | claimed |
| US-4080327-A | 13-Oxatetracyclo[8.2.12,9.0.03,8 ]tridec-5-ene-1,5,6,10-tetracarbonitrile and separation of its monocyclic aromatic clathrates | PHILLIPS PETROLEUM COMPANY (US) | 1978-03-21 | — | — | US | claimed |
| US-4080459-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1978-03-21 | — | — | US | claimed |
| US-4070475-A | THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1978-01-24 | — | — | US | claimed |
| US-4057416-A | 3-Alkylthio-, 3-alkylsulfinyl-, and 3-alkylsulfonylisothiazole derivatives as herbicides | FMC CORPORATION (US) | 1977-11-08 | — | — | US | claimed |
| US-4039541-A | Monocyclic aromatic clathrates of 13-oxatetracyclo[8.2.12,9.0.03,8 ]tridec-5-ene-1,5,6,10-tetracarbonitrile | PHILLIPS PETROLEUM COMPANY (US) | 1977-08-02 | — | — | US | claimed |
| US-4028323-A | WITH A SUBSTITUTED AMINOBENZENE | CIBA-GEIGY AG (CH) | 1977-06-07 | — | — | US | claimed |
| US-4022797-A | PHARMACEUTICALS | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-05-10 | — | — | US | claimed |
| US-4014864-A | POLYESTER FIBERS | CIBA-GEIGY CORPORATION (US) | 1977-03-29 | — | — | US | claimed |
| US-3945989-A | Fluoro triazine containing water insoluble azo dyestuff | CIBA-GEIGY AG (CH) | 1976-03-23 | — | — | US | claimed |