⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7947719 | 0.95 | ALDH1A1 (0.37) | — | |
| SCHEMBL7942798 | 0.93 | ALDH1A1 (0.35) | — | |
| SCHEMBL7942809 | 0.93 | ALDH1A1 (0.35) | — | |
| SCHEMBL125455 | 0.84 | — | — | |
| SCHEMBL275931 | 0.78 | — | — | |
| SCHEMBL5685412 | 0.72 | TLR4 (0.40) | — | |
| SCHEMBL5685406 | 0.72 | TLR4 (0.40) | — | |
| SCHEMBL2853287 | 0.70 | — | — | |
| SCHEMBL13492059 | 0.70 | — | — | |
| SCHEMBL2853289 | 0.70 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120059163-A1 | Non-linear opticaly active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20120059163-A1 | Non-linear opticaly active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-7598417-B2 | Analgesics; muscular disorders; diarrhea | ALLERGAN, INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-7598417-B2 | Analgesics; muscular disorders; diarrhea | ALLERGAN, INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-7598417-B2 | Analgesics; muscular disorders; diarrhea | ALLERGAN, INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-20080255239-A1 | SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS | ALLERGAN, INC. | 2008-10-16 | — | — | US | disclosed |
| US-20080255239-A1 | SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS | ALLERGAN, INC. | 2008-10-16 | — | — | US | disclosed |
| US-20080255239-A1 | SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS | ALLERGAN, INC. | 2008-10-16 | — | — | US | disclosed |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2008-01-03 | — | — | US | disclosed |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2008-01-03 | — | — | US | disclosed |
| US-6774229-B2 | PROCESS FOR THE PREPARATION OF AROMATIC OR NON-AROMATIC HETEROCYCLES HAVING FROM 4 TO 10, PREFERABLY FROM 5 TO 7, RING MEMBERS; USED AS FUNGICIDES, ANTIMICROBIALS AND BACTERICIDES | MORPHOCHEM AG (DE) | 2004-08-10 | — | — | US | disclosed |
| EP-1233944-B1 | COUPLING CONDENSATION SYNTHESIS OF HETEROCYCLES | MORPHOCHEM AG (DE) | 2004-03-31 | — | — | EP | disclosed |
| US-20030100751-A1 | Coupling condensation synthesis of heterocycles | MORPHOCHEM AG (DE) | 2003-05-29 | — | — | US | disclosed |
| EP-1233944-A2 | COUPLING CONDENSATION SYNTHESIS OF HETEROCYCLES | Morphochem AG (DE) | 2002-08-28 | — | — | EP | disclosed |
| WO-2001038302-A2 | COUPLING CONDENSATION SYNTHESIS OF HETEROCYCLES | MORPHOCHEM AG (DE) | 2001-05-31 | — | — | WO | disclosed |
| US-6215031-B1 | REDUCING 3-FORMYLCYCLOALKANONE OR 3-FORMYLCYCLOALKENONE;3-HYDROXYMETHYL-5,5-DIMETHYLCYCLOHEXANOL | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-10 | — | — | US | disclosed |
| US-6100430-A | ALICYCLIC COMPOUND CONTAINING TWO PRIMARY, SECONDARY AND/OR TERTIARY AMINO GROUPS AND HAVING A CARBON ATOM IN THE RING SUBSTITUTED WITH TWO ALKYL GROUPS; MAKING BY REDUCTIVE AMINATION OF A 3-FORMYLCYCLOALKENONE OR 3-FORMYLCYCLOALKANONE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0976723-A2 | A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition | Daicel Chemical Industries, Ltd. (JP) | 2000-02-02 | — | — | EP | disclosed |
| EP-0895984-A1 | ALICYCLIC POLYAMINES AND PROCESS FOR THE PREPARATION THEREOF | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-02-10 | — | — | EP | disclosed |
| EP-0895980-A1 | 3-HYDROXYMETHYLCYCLOALKANOLS AND PROCESS FOR PRODUCING THEM | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-02-10 | — | — | EP | disclosed |