⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194317 | 0.92 | THRB (0.30) | — | |
| Pyridine SCHEMBL16876649 | 0.87 | TSHR (0.36) | — | |
| Aniline SCHEMBL19949801 | 0.84 | TSHR (0.41) | — | |
| Pyrazole SCHEMBL3006807 | 0.78 | — | — | |
| SCHEMBL29382796 | 0.76 | — | — | |
| SCHEMBL8191094 | 0.76 | — | — | |
| SCHEMBL119711 | 0.73 | TRPV6 (0.39) | — | |
| SCHEMBL18398447 | 0.72 | — | — | |
| SCHEMBL629892 | 0.70 | — | — | |
| SCHEMBL168225 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106964403-B | A kind of Magnetic phenyl phosphine palladium composite catalyst and its application | 苏州至善化学有限公司 | 2019-10-22 | — | — | CN | claimed |
| CN-109824691-A | Liquid-crystal compounds and its preparation based on cyclopentadiene 1,4-Dithiapentalene -4- ketone | 四川师范大学 | 2019-05-31 | — | — | CN | claimed |
| CN-109575046-A | A kind of four aryl of dithienothiophene replace and double luxuriant and rich with fragrance condensed compounds and preparation | 四川师范大学 | 2019-04-05 | — | — | CN | claimed |
| CN-106964403-A | A kind of Magnetic phenyl phosphine palladium composite catalyst and its application | 苏州至善化学有限公司 | 2017-07-21 | — | — | CN | claimed |
| CN-106964403-B | A kind of Magnetic phenyl phosphine palladium composite catalyst and its application | 苏州至善化学有限公司 | 2019-10-22 | — | — | CN | disclosed |
| EP-3510035-A1 | DUAL PROTECTED PRO-COELENTERAZINE SUBSTRATES | Promega Corporation (US) | 2019-07-17 | — | — | EP | disclosed |
| CN-109575046-A | A kind of four aryl of dithienothiophene replace and double luxuriant and rich with fragrance condensed compounds and preparation | 四川师范大学 | 2019-04-05 | — | — | CN | disclosed |
| CN-109422713-A | A kind of synthetic method of Glycitein | 复旦大学 | 2019-03-05 | — | — | CN | disclosed |
| WO-2018049241-A1 | DUAL PROTECTED PRO-COELENTERAZINE SUBSTRATES | PROMEGA CORPORATION (US) | 2018-03-15 | — | — | WO | disclosed |
| CN-106964403-A | A kind of Magnetic phenyl phosphine palladium composite catalyst and its application | 苏州至善化学有限公司 | 2017-07-21 | — | — | CN | disclosed |