⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1276262 | 0.91 | ALDH1A1 (0.56) | — | |
| SCHEMBL80644 | 0.85 | — | — | |
| SCHEMBL9666733 | 0.84 | ALDH1A1 (0.65) | — | |
| SCHEMBL5655081 | 0.84 | ALDH1A1 (0.65) | — | |
| SCHEMBL16372492 | 0.83 | QPCT (0.50) | — | |
| SCHEMBL20204692 | 0.82 | ALDH1A1 (0.62) | — | |
| SCHEMBL5075385 | 0.81 | — | — | |
| SCHEMBL14860830 | 0.81 | KMT2A (0.53) | — | |
| SCHEMBL11596858 | 0.80 | ALDH1A1 (0.59) | — | |
| SCHEMBL11594821 | 0.80 | ALDH1A1 (0.59) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114106475-A | Rubber composition for sealing material, and pneumatic tire | 住友橡胶工业株式会社 | 2022-03-01 | — | — | CN | disclosed |
| WO-2016167511-A2 | N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT | 한국화학연구원 | 2016-10-20 | — | — | WO | disclosed |
| US-7700581-B2 | Cephalosporin compounds comprising a C3 thio-methyl moiety substituted with N-containing heterocyclic group, and a C7 thiourea acetamido group, their preparations and uses thereof | GUANGZHOU BAIYUNSHAN PHARMACEUTICAL CO., LTD. (CN) | 2010-04-20 | — | — | US | disclosed |
| US-7410745-B2 | Photothermographic material and image forming method using same | FUJIFILM CORPORATION (JP) | 2008-08-12 | — | — | US | disclosed |
| US-20080182836-A1 | Cephalosporin compounds comprising a C3 thio-methyl moiety substituted with N-containing heterocyclic group, and a C7 thiourea acetamido group, their preparations and uses thereof | GUANGZHOU BAIYUNSHAN PHARMACEUTICAL CO., LTD. (CN) | 2008-07-31 | — | — | US | disclosed |
| EP-1431813-B1 | Photothermographic material with high iodide content and image forming method using same | FUJI PHOTO FILM CO LTD (JP) | 2007-02-14 | — | — | EP | disclosed |
| US-20040137389-A1 | Heat-developable light-sensitive material | FUJIFILM CORPORATION (JP) | 2004-07-15 | — | — | US | disclosed |
| US-20040131983-A1 | Photothermographic material and image forming method using same | FUJIFILM CORPORATION (JP) | 2004-07-08 | — | — | US | disclosed |
| EP-1431813-A1 | Photothermographic material and image forming method using same | FUJI PHOTO FILM CO., LTD. (JP) | 2004-06-23 | — | — | EP | disclosed |
| US-5246688-A | Heating aqueous homogeneous reaction mixture comprising fluosilicate, reagent providing hydroxide ions by hydrothermal decomposition, structuring agent; separating precipitate, calcining | RHONE-POULENC CHIMIE (FR) | 1993-09-21 | — | — | US | disclosed |