⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37876 | 1.00 | — | — | |
| SCHEMBL815779 | 1.00 | ALDH1A1 (0.44) | — | |
| SCHEMBL167832 | 1.00 | ALDH1A1 (0.44) | — | |
| SCHEMBL816879 | 1.00 | ALDH1A1 (0.44) | — | |
| SCHEMBL816118 | 1.00 | ALDH1A1 (0.44) | — | |
| SCHEMBL814801 | 1.00 | ALDH1A1 (0.44) | — | |
| SCHEMBL815452 | 1.00 | ALDH1A1 (0.44) | — | |
| SCHEMBL814708 | 1.00 | ALDH1A1 (0.44) | — | |
| SCHEMBL816961 | 1.00 | ALDH1A1 (0.44) | — | |
| SCHEMBL817263 | 1.00 | ALDH1A1 (0.44) | — |
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 3887 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-7786332-B2 | Process for the preparation of ring compounds | MERCK PATENT GMBH (DE) | 2010-08-31 | — | — | US | claimed |
| US-7411100-B2 | Process for the preparation of ring compounds | MERCK GMBH (DE) | 2008-08-12 | — | — | US | claimed |
| US-7247687-B2 | Late transition metal catalysts for olefin polymerization and oligomerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-07-24 | — | — | US | claimed |
| US-7112649-B2 | Polythiophenes and devices thereof | XEROX CORPORATION (US) | 2006-09-26 | — | — | US | claimed |
| EP-1521758-B1 | LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION | EXXONMOBIL CHEM PATENTS INC (US) | 2006-05-24 | — | — | EP | claimed |
| US-7014890-B2 | Fluorinated naphthalenes, liquid-crystal mixtures comprising them, and liquid-crystal displays | MERCK PATENT GMBH (DE) | 2006-03-21 | — | — | US | claimed |
| US-20060047094-A1 | Late transition metal catalysts for olefin polymerization and oligomerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2006-03-02 | — | — | US | claimed |
| EP-1284258-B1 | Mono-, oligo- and polyalkylidenefluorenes and their use as charge transport materials | MERCK PATENT GMBH (DE) | 2006-02-08 | — | — | EP | claimed |
| US-6949762-B2 | Polythiophenes and devices thereof | XEROX CORPORATION (US) | 2005-09-27 | — | — | US | claimed |
| US-6929833-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2005-08-16 | — | — | US | claimed |
| US-4931455-A | Alkylaminopyrimidine derivative and insecticide, acaricide and fungicide containing the same as active ingredient | UBE INDUSTRIES, LTD. (JP) | 1990-06-05 | — | — | US | claimed |
| EP-0227717-B1 | NITROGEN-CONTAINING HETEROCYCLIC ESTERS | MERCK PATENT GmbH (DE) | 1990-04-25 | — | — | EP | claimed |
| US-4894181-A | Carbocyclic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-01-16 | — | — | US | claimed |
| US-4882082-A | PYRIMIDINE DERIVATIVE LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-11-21 | — | — | US | claimed |
| EP-0323757-A2 | Alkylaminopyrimidine derivative, process for producing the same, and insecticide, acaricide and fungicide containing the same as active ingredient | UBE INDUSTRIES, LTD. (JP) | 1989-07-12 | — | — | EP | claimed |
| US-4820839-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-04-11 | — | — | US | claimed |
| US-4758373-A | Carbocyclic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-07-19 | — | — | US | claimed |
| EP-0132553-B1 | BICYCLOHEXYLES | MERCK PATENT GmbH (DE) | 1988-02-10 | — | — | EP | claimed |
| US-4574123-A | BACTERICIDES, FUNGICIDES, STERILIZATION, CONTRACEPTIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-03-04 | — | — | US | claimed |
| EP-0125091-A2 | 4,4'-Alkylenedipiperidine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-11-14 | — | — | EP | claimed |