Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Phenylacetylene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Phenylacetylene SCHEMBL28868225 | 1.00 | APP (0.50) | — | |
| Phenylacetylene SCHEMBL9799272 | 0.97 | APP (0.47) | — | |
| Phenylacetylene SCHEMBL4187970 | 0.97 | APP (0.47) | — | |
| Phenylacetylene SCHEMBL4884 | 0.97 | — | — | |
| Phenylacetylene SCHEMBL6891916 | 0.97 | APP (0.53) | — | |
| Phenylacetylene SCHEMBL4297769 | 0.97 | — | — | |
| Phenylacetylene SCHEMBL27795197 | 0.97 | APP (0.53) | — | |
| Phenylacetylene SCHEMBL1331558 | 0.97 | — | — | |
| Phenylacetylene SCHEMBL1331398 | 0.97 | — | — | |
| Phenylacetylene SCHEMBL1331408 | 0.97 | — | — |
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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501234-B | A kind of oil-source rock correlation and preparation method thereof | 安徽师范大学 | 2019-07-19 | — | — | CN | claimed |
| CN-109879830-A | A kind of oxaza heptane derivative and preparation method thereof containing exocyclic double bond | 安徽师范大学 | 2019-06-14 | — | — | CN | claimed |
| CN-109879806-A | A kind of isoquinolin indenes ether derivant and preparation method thereof | 安徽师范大学 | 2019-06-14 | — | — | CN | claimed |
| CN-105348094-B | A kind of acyl chlorides and the addition product of alkynes and preparation method thereof | 安徽师范大学 | 2019-05-14 | — | — | CN | claimed |
| CN-106749139-B | Polysubstituted condensed benzofuran derivative of one kind and preparation method thereof | 安徽师范大学 | 2019-03-26 | — | — | CN | claimed |
| CN-109369508-A | A kind of polysubstituted indole derivatives and preparation method thereof | 安徽师范大学 | 2019-02-22 | — | — | CN | claimed |
| CN-108947828-A | A kind of Multi substituted benzenes formaldehyde derivatives and preparation method thereof | 安徽师范大学 | 2018-12-07 | — | — | CN | claimed |
| CN-108821975-A | A kind of hydrogenation phenanthrene derivatives and preparation method thereof containing exocyclic double bond | 安徽师范大学 | 2018-11-16 | — | — | CN | claimed |
| CN-108774189-A | Yi Zhong oxazine phenylate derivatives and preparation method thereof | 安徽师范大学 | 2018-11-09 | — | — | CN | claimed |
| CN-108774272-A | A kind of ferrocene derivatives and preparation method thereof | 安徽师范大学 | 2018-11-09 | — | — | CN | claimed |
| CN-106946707-A | A kind of polysubstituted hydrogenation indene derivative and preparation method thereof | 安徽师范大学 | 2017-07-14 | — | — | CN | claimed |
| CN-106905205-A | An a kind of step constructs C O and C Bifunctionalized products of S keys and preparation method thereof | 安徽师范大学 | 2017-06-30 | — | — | CN | claimed |
| CN-106866639-A | A kind of 2H pyranoid rings connect quinoline ring derivatives and its synthetic method | 安徽师范大学 | 2017-06-20 | — | — | CN | claimed |
| CN-106749139-A | One kind is polysubstituted to condense benzofuran derivative and preparation method thereof | 安徽师范大学 | 2017-05-31 | — | — | CN | claimed |
| CN-106748769-A | A kind of polysubstituted 3 phenyl phenol derivatives and preparation method thereof | 安徽师范大学 | 2017-05-31 | — | — | CN | claimed |
| CN-106588694-A | Aryl nitrile derivative and preparation method thereof | 安徽师范大学 | 2017-04-26 | — | — | CN | claimed |
| CN-104447396-B | Benzoin oxime derivative and preparation method thereof | 安徽师范大学 | 2017-01-11 | — | — | CN | claimed |
| CN-104447337-B | A kind of cinnamate analog derivative and preparation method thereof | 安徽师范大学 | 2017-01-04 | — | — | CN | claimed |
| CN-104370724-B | A kind of fluorenone derivatives and preparation method thereof, and the oxide-reduction method of synthesis Fluorenone | 安徽师范大学 | 2017-01-04 | — | — | CN | claimed |
| CN-105968013-A | Pi-copolymer and preparation method thereof | 安徽师范大学 | 2016-09-28 | — | — | CN | claimed |