⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9170250 | 0.97 | MEN1 (0.32) | — | |
| SCHEMBL9412266 | 0.97 | MEN1 (0.32) | — | |
| SCHEMBL9664186 | 0.78 | — | — | |
| SCHEMBL9412202 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL11606409 | 0.67 | — | — | |
| SCHEMBL5572475 | 0.67 | — | — | |
| SCHEMBL11604803 | 0.65 | — | — | |
| SCHEMBL29240247 | 0.60 | TRPV4 (0.41) | — | |
| SCHEMBL6512716 | 0.57 | TRPV4 (0.39) | — | |
| SCHEMBL30899066 | 0.57 | TRPV4 (0.39) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4014891-A | FROM AN ALKALI METAL ARYL MERCAPTIDE AND BROMOCHLOROMETHANE IN A QUATERNARY AMMONIUM SALT | THE DOW CHEMICAL COMPANY (US) | 1977-03-29 | — | — | US | claimed |
| US-20070060551-A1 | Methods of using isothiazole derivatives to treat cancer or inflammation | QLT, INC. (CA) | 2007-03-15 | — | — | US | disclosed |
| US-5578622-A | FUNGICIDE OR BACTERICIDE FOR USE IN INDUSTRY, AGRICULTURE AND MEDICINE | ASAMURA PATENT OFFICE (JP) | 1996-11-26 | — | — | US | disclosed |
| EP-0697409-A1 | Isothiazole derivatives containing (an) iodoalkylnyl group(s), their preparation and their use as fungicide and/or bactericide | NIHON NOHYAKU CO., LTD. (JP) | 1996-02-21 | — | — | EP | disclosed |
| US-4143043-A | MICROBIOCIDES | THE DOW CHEMICAL COMPANY (US) | 1979-03-06 | — | — | US | disclosed |
| US-4110335-A | Process for preparing disalts of 3,4-dimercaptoisothiazole-5-carbonitrile [and related products therefrom] | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1978-08-29 | — | — | US | disclosed |
| US-4094880-A | BACTERICIDES AND FUNGICIDES | THE DOW CHEMICAL COMPANY (US) | 1978-06-13 | — | — | US | disclosed |
| US-4066656-A | RUBBER CURING AGENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1978-01-03 | — | — | US | disclosed |