⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4030569 | 0.80 | — | — | |
| SCHEMBL4281299 | 0.80 | — | — | |
| SCHEMBL10988092 | 0.80 | — | — | |
| SCHEMBL13597314 | 0.76 | KMT2A (0.36) | — | |
| SCHEMBL4275273 | 0.72 | CA12 (0.34) | — | |
| SCHEMBL7077963 | 0.69 | KMT2A (0.40) | — | |
| SCHEMBL10982371 | 0.68 | ALDH1A1 (0.50) | — | |
| SCHEMBL10878843 | 0.52 | — | — | |
| SCHEMBL8213378 | 0.47 | ALDH1A1 (0.44) | — | |
| SCHEMBL10456665 | 0.47 | — | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108409777-A | Benzisothiazole derivatives or naphtho- Isothizole derivatives and its synthetic method | 上海大学 | 2018-08-17 | — | — | CN | disclosed |
| WO-2007123718-A1 | 1-HETEROCYCLYLAMINO-2-HYDROXY-3-AMINO-ω-ARYLALKANES | VITAE PHARMACEUTICALS, INC. (US) | 2007-11-01 | — | — | WO | disclosed |
| EP-0604353-B1 | Benzimidazole compounds, their preparation and use | NEUROSEARCH AS (DK) | 1998-07-01 | — | — | EP | disclosed |
| EP-0799216-A1 | SUBSTITUTED THIADIAZOLES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS | THE DOW CHEMICAL COMPANY (US) | 1997-10-08 | — | — | EP | disclosed |
| US-5618816-A | Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridnyl and pyrimidinylpiperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0729958-A2 | Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinyl-piperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1996019467-A1 | SUBSTITUTED THIADIAZOLES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS | THE DOW CHEMICAL COMPANY (US) | 1996-06-27 | — | — | WO | disclosed |
| US-5491155-A | MICROBIOCIDES FOR MIXING INTO PAINTS, INKS, LATEX, SOAPS, PAPER COATINGS, LOTIONS | THE DOW CHEMICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |
| US-5441969-A | Imidazole compounds, their preparation and use | NEUROSEARCH A/S (DK) | 1995-08-15 | — | — | US | disclosed |
| EP-0604353-A1 | Benzimidazole compounds, their preparation and use | NEUROSEARCH A/S (DK) | 1994-06-29 | — | — | EP | disclosed |
| EP-0177016-A2 | Pyridyloxy derivatives | Ikeda Mohando Co., Ltd. (JP) | 1986-04-09 | — | — | EP | disclosed |
| EP-0163324-A2 | Aminoalkylphenoxy derivatives | Ikeda Mohando Co., Ltd. (JP) | 1985-12-04 | — | — | EP | disclosed |
| US-4510309-A | ANTISECRETORY AND ANTIULCER AGENTS | BRISTOL-MYERS COMPANY (US) | 1985-04-09 | — | — | US | disclosed |
| US-4471122-A | Thiadiazole histamine H2 -antagonists | BRISTOL-MYERS COMPANY (US) | 1984-09-11 | — | — | US | disclosed |
| EP-0112142-A2 | Pyridine derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-06-27 | — | — | EP | disclosed |
| EP-0099121-A2 | Pharmaceutical compositions | Bristol-Myers Company (US) | 1984-01-25 | — | — | EP | disclosed |
| US-4394508-A | ANTIULCER AND ANTISECRETORY AGENTS; HISTAMINE ANTAGONIST | BRISTOL-MYERS COMPANY (US) | 1983-07-19 | — | — | US | disclosed |
| US-4380639-A | ANTIULCER AND ANTISECRETORY AGENTS | BRISTOL-MYERS COMPANY (US) | 1983-04-19 | — | — | US | disclosed |
| US-4380638-A | ANTIULCER AND ANTISECRETORY AGENTS; DERIVATIVES OF 3-AMINO-4-HET-A | BRISTOL-MYERS COMPANY (US) | 1983-04-19 | — | — | US | disclosed |
| US-4374248-A | ANTIHISTAMINES, ANTIULCER | BRISTOL-MYERS COMPANY (US) | 1983-02-15 | — | — | US | disclosed |