SCHEMBL6243958

SCHEMBL6243958

c1ccc(C(c2ccccc2)(c2ccccc2)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 1/20 0.45
▸ HTR2B P41595 1/20 0.44
▸ HTR5A P47898 1/20 0.44
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 1/20 0.43
▸ TUBA1A Q71U36 1/20 0.43
▸ TUBA1C Q9BQE3 1/20 0.43
▸ TUBB6 Q9BUF5 1/20 0.43
▸ TUBB2B Q9BVA1 1/20 0.43
▸ TUBB1 Q9H4B7 1/20 0.43
▸ CNR1 P21554 1/20 0.40
▸ PIK3CA P42336 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7915425 0.82 ESR1 (0.53) CNR1ESR1ESR2HTR2AKCNH2
SCHEMBL30437300 0.82 TUBB4A (0.48) PDE9AHTR2BHTR5ATUBB4ATUBB
SCHEMBL14112753 0.82 TUBB4A (0.48) PDE9AHTR2BHTR5ATUBB4ATUBB
SCHEMBL6236873 0.76 BCHE (0.41) ESR1ESR2KIF11
SCHEMBL2005752 0.73 KDM4E (0.53) PDE9AHTR2BHTR5A
SCHEMBL28486475 0.72 HTR2B (0.45) PDE9AHTR2BHTR5ATUBB4ATUBB
SCHEMBL14154501 0.70 TUBB4A (0.48) PDE9AHTR2BHTR5ATUBB4ATUBB
SCHEMBL14519056 0.70 PIK3CA (0.51) PDE9AHTR2BHTR5ATUBB4ATUBB
SCHEMBL15094655 0.70 CNR1 (0.53) CNR1CCNB2CDK1CCNB1CCNB3
SCHEMBL18028382 0.69 AHR (0.55) PDE9AHTR2BHTR5ATUBB4ATUBB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1072614-B1 Method for polymerizing vinyl monomers in a coated reactor SHINETSU CHEMICAL CO (JP) 2005-07-06 — — EP disclosed
EP-0934955-B1 Polymerization process characterized by a two layer coating against scale formation deposited using a steam carrier SHINETSU CHEMICAL CO (JP) 2003-04-16 — — EP disclosed
US-6362291-B1 PRETREATING VESSEL HAS ANTIDEPOSIT COATING SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-03-26 — — US disclosed
US-6335403-B1 ANTISCALING AGENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-01-01 — — US disclosed
US-6320001-B1 COATING INNER WALL SURFACES WITH A POLYMER SCALE PREVENTIVE FILM OF AN AROMATIC OR HETEROCYCLIC COMPOUND HAVING 5 OR MORE CONJUGATED PI BONDS DYE AND/OR PIGMENT ON THE FIRST LAYER AND A SECOND LAYER OF A DYE AND/OR PIGMENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-11-20 — — US disclosed
EP-1072614-A1 Method for polymerizing vinyl monomers in a coated reactor SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-01-31 — — EP disclosed
EP-1063242-A1 Process for producing a polymer by polymerization of a monomer having an ethylenic double bond SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-12-27 — — EP disclosed
EP-1043338-A1 Polymerisation process in a reactor with double coating against scale formation SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-10-11 — — EP disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 — — US disclosed
US-6037426-A POLYMERIZING MONOMER HAVING ETHYLENIC DOUBLE BOND IN POLYMERIZATION VESSEL HAVING BILAYER POLYMER SCALE PREVENTIVE COATING FILM ON INNER WALL SURFACES SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-03-14 — — US disclosed
EP-0934955-A1 Polymerization process characterized by a two layer coating against scale formation deposited using a steam carrier SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-08-11 — — EP disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 — — US disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 — — CN disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 — — EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 — — US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 — — US disclosed
CN-85107531-A Process for producing vinyl chloride polymer — 1987-01-21 — — CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 — — EP disclosed
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