⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6420400 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL1745 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL28186859 | 0.79 | — | — | |
| SCHEMBL203347 | 0.79 | — | — | |
| SCHEMBL9581609 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28817307 | 0.79 | — | — | |
| SCHEMBL6420402 | 0.79 | — | — | |
| SCHEMBL1923101 | 0.78 | — | — | |
| SCHEMBL23221980 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL16447031 | 0.77 | TSHR (0.46) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2373633-B1 | METHOD FOR PRODUCING TRAZINE CARBAMATES USING CHLOROFORMATES | BOREALIS AGROLINZ MELAMINE (AT) | 2014-04-16 | — | — | EP | claimed |
| US-20110295001-A1 | Method for Producing Triazine Carbamates Using Chloroformates | BOREALIS AGROLINZ MELAMINE GMBH (AT) | 2011-12-01 | — | — | US | claimed |
| EP-3793988-B1 | SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING | CTXT PTY LTD (AU) | 2023-11-15 | — | — | EP | disclosed |
| US-20110295001-A1 | Method for Producing Triazine Carbamates Using Chloroformates | BOREALIS AGROLINZ MELAMINE GMBH (AT) | 2011-12-01 | — | — | US | disclosed |
| US-6765015-B2 | ANTICARCINOGENIC/ANTITUMOR AGENTS SUCH AS N-(2?-BROMO-3? METHYL)-BUTANOYL-N-DEBENZOYL-CEPHALOMANNINE | XECHEM INTERNATIONAL, INC. | 2004-07-20 | — | — | US | disclosed |
| EP-1105118-A4 | HALOGENATED PACLITAXEL DERIVATIVES | XECHEM INC (US) | 2003-02-26 | — | — | EP | disclosed |
| US-20020107409-A1 | Halogenated paclitaxel derivatives | XECHEM, INC. | 2002-08-08 | — | — | US | disclosed |
| EP-1105118-A1 | HALOGENATED PACLITAXEL DERIVATIVES | Xechem, Inc. (US) | 2001-06-13 | — | — | EP | disclosed |
| US-6124313-A | ACTIVE DRUG FOR TREATING GASTRO-INTESTINAL AILMENTS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-09-26 | — | — | US | disclosed |
| WO-1999025334-A1 | HALOGENATED PACLITAXEL DERIVATIVES | XECHEM INTERNATIONAL, INC. (US) | 1999-05-27 | — | — | WO | disclosed |
| US-4313838-A | Preparation and use of xanthogen chloropropyl formate flotation reagents | ESSEX CHEMICAL CORPORATION | 1982-02-02 | — | — | US | disclosed |
| US-4191641-A | COPPER SULFIDE ORES | Mineric Corporation (US) | 1980-03-04 | — | — | US | disclosed |