⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8047278 | 0.83 | DNM1 (0.36) | — | |
| SCHEMBL8034957 | 0.81 | OPRM1 (0.39) | — | |
| SCHEMBL2537919 | 0.75 | — | — | |
| SCHEMBL1524380 | 0.73 | — | — | |
| SCHEMBL83546 | 0.73 | — | — | |
| SCHEMBL8704944 | 0.71 | — | — | |
| SCHEMBL707693 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL12059211 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL28391044 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL23748014 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101553214-A | Compositions and methods for treating, controlling, reducing, ameliorating, or preventing allergy | BAUSCH & LOMB (US) | 2009-10-07 | — | — | CN | disclosed |
| CN-101528208-A | Compositions and methods for treating or preventing glaucoma or its progression | BAUSCH & LOMB (US) | 2009-09-09 | — | — | CN | disclosed |
| EP-0643119-B1 | Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition | SUMITOMO CHEMICAL CO (JP) | 2000-04-26 | — | — | EP | disclosed |
| US-6030546-A | FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-02-29 | — | — | US | disclosed |
| US-5707547-A | CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-01-13 | — | — | US | disclosed |
| EP-0643119-A1 | Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-03-15 | — | — | EP | disclosed |