Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Fluoride. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| SCHEMBL429367 | 0.95 | — | — | |
| Fluoride SCHEMBL5487749 | 0.95 | — | — | |
| Fluoride SCHEMBL8159283 | 0.95 | — | — | |
| SCHEMBL21641627 | 0.95 | CA2 (0.54) | — | |
| Water SCHEMBL22581609 | 0.90 | — | — | |
| Fluoride SCHEMBL8586978 | 0.90 | — | — | |
| Fluoride SCHEMBL5051050 | 0.90 | — | — | |
| Fluoride SCHEMBL27880784 | 0.90 | — | — | |
| Fluoride SCHEMBL28112618 | 0.90 | — | — | |
| Fluoride SCHEMBL28200025 | 0.90 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109809387-A | A kind of porous carbon materials and preparation method thereof | 山东大学 | 2019-05-28 | — | — | CN | claimed |
| CN-104961747-B | Tetrahydrobenzo [ d ] [1,2,6] oxadinitrogen compound and preparation method thereof | 大连理工大学 | 2017-10-24 | — | — | CN | claimed |
| CN-105130834-B | A kind of preparation method of β amidos alpha amino acid ester derivative | 中国科学院兰州化学物理研究所 | 2017-06-23 | — | — | CN | claimed |
| CN-106749336-A | A kind of synthetic method of the miscellaneous ternary cycle compounds of trisubstituted N | 南阳师范学院 | 2017-05-31 | — | — | CN | claimed |
| CN-105884600-A | 1-tetralone spiro-diene as well as synthetic method and application thereof | 安阳工学院 | 2016-08-24 | — | — | CN | claimed |
| CN-110364726-A | The preparation method and application of double ion doping vanadic anhydride positive electrode | 瑞海泊有限公司 | 2019-10-22 | — | — | CN | disclosed |
| CN-107459475-B | Method for synthesizing pyrrole-4-ketone derivative by visible light catalysis | 中国科学院理化技术研究所 | 2019-09-27 | — | — | CN | disclosed |
| CN-110229114-A | Remove C2-symmetric diphenylamine type chiral bisoxazoline ligand and synthetic method and application thereof | 浙江工业大学 | 2019-09-13 | — | — | CN | disclosed |
| CN-110061309-A | Battery | 陈璞 | 2019-07-26 | — | — | CN | disclosed |
| CN-109020862-A | 3,4- dihydro -1- pyrrolin-N- oxide derivative synthetic method | 兰州大学 | 2018-12-18 | — | — | CN | disclosed |
| CN-105367523-B | A kind of synthetic method of 2,2 2 (2 furyl) propane | 江苏清泉化学股份有限公司 | 2018-03-30 | — | — | CN | disclosed |
| CN-107459475-A | Method for synthesizing pyrrole-4-ketone by visible light catalysis | 中国科学院理化技术研究所 | 2017-12-12 | — | — | CN | disclosed |
| CN-106661014-A | Azole benzene derivative and crystal thereof | 帝人制药株式会社 | 2017-05-10 | — | — | CN | disclosed |
| CN-106536643-A | Antistatic coating composition | 埃西勒国际通用光学公司 | 2017-03-22 | — | — | CN | disclosed |