⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10392501 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28630957 | 0.97 | — | — | |
| 1,2-Dichloroethane SCHEMBL28083861 | 0.90 | CA12 (0.71) | — | |
| Methylene Chloride SCHEMBL28099505 | 0.86 | CA12 (0.77) | — | |
| Hydrochloric Acid SCHEMBL27846731 | 0.85 | UBE2N (0.68) | — | |
| SCHEMBL22505071 | 0.84 | — | — | |
| SCHEMBL15381 | 0.82 | — | — | |
| SCHEMBL5314937 | 0.82 | CA12 (1.00) | — | |
| Nornitrogen Mustard SCHEMBL24674 | 0.82 | — | — | |
| Trientine SCHEMBL13685489 | 0.79 | CA12 (0.85) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5593970-A | ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING | BIOCHEM PHARMA INC. (CA) | 1997-01-14 | — | — | US | claimed |
| WO-1995012588-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1995-05-11 | — | — | WO | claimed |
| CN-1094402-A | Antineoplastic heteronaphthoquinones | IAF BIOCHEM INT (CA) | 1994-11-02 | — | — | CN | claimed |
| US-4039484-A | Process for the production of anion-exchangeable nonhollow novolak filaments | KANEBO, LTD. (JA) | 1977-08-02 | — | — | US | claimed |
| CN-113321624-A | Synthesis method of 1,4, 7-triazacyclononane | 仪征市海帆化工有限公司 | 2021-08-31 | — | — | CN | disclosed |
| CN-109503421-A | A method of improving the synthesis process safety of nitrine amine fuel | 黎明化工研究设计院有限责任公司 | 2019-03-22 | — | — | CN | disclosed |
| WO-2017095975-A1 | COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE | THE PROCTER & GAMBLE COMPANY (US) | 2017-06-08 | — | — | WO | disclosed |
| CN-102174748-B | Salt-free dyeing method of vinyl sulphone type reactive dye for cotton fiber | UNIV QINGDAO | 2012-11-14 | — | — | CN | disclosed |
| CN-102174748-A | Salt-free dyeing method of vinyl sulphone type reactive dye for cotton fiber | UNIV QINGDAO | 2011-09-07 | — | — | CN | disclosed |
| US-5593970-A | ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING | BIOCHEM PHARMA INC. (CA) | 1997-01-14 | — | — | US | disclosed |
| EP-0659190-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC (CA) | 1995-06-28 | — | — | EP | disclosed |
| WO-1995012588-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1995-05-11 | — | — | WO | disclosed |
| CN-1094402-A | Antineoplastic heteronaphthoquinones | IAF BIOCHEM INT (CA) | 1994-11-02 | — | — | CN | disclosed |
| WO-1994011382-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1994-05-26 | — | — | WO | disclosed |
| EP-0403751-B1 | Polycarbonic acid imidazolines, process for their preparation and their use in detergents | SCHAEFER CHEM INST (CH) | 1994-03-23 | — | — | EP | disclosed |
| US-5151522-A | Condensation of imidazoline compounds with acrylic acid, methacrylic acid or maleic acid | CHEMISCHES INSTITUT SCHAEFER AG (CH) | 1992-09-29 | — | — | US | disclosed |
| US-5049315-A | Polycarboxylic acid imidazolines, process for the preparation thereof and cleaning agents containing them | CHEMISCHES INSTUTUT SCHAEFER AG (DE) | 1991-09-17 | — | — | US | disclosed |
| EP-0403751-A1 | Polycarbonic acid imidazolines, process for their preparation and their use in detergents | CHEMISCHES INSTITUT SCHAEFER AG (CH) | 1990-12-27 | — | — | EP | disclosed |
| US-4039484-A | Process for the production of anion-exchangeable nonhollow novolak filaments | KANEBO, LTD. (JA) | 1977-08-02 | — | — | US | disclosed |