SCHEMBL123538

SCHEMBL123538

CCC(c1ccccc1)c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
CYP17A1 P05093 3/20 0.58
S1PR1 P21453 1/20 0.56
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.47
HTR2A P28223 2/20 0.46
HRH1 P35367 2/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
Ammonia Solution, Strong SCHEMBL5999712 0.98 SLC6A3 (0.59) SLC6A3SLC6A2SLC6A4CYP17A1S1PR1
SCHEMBL377276 0.93 CYP17A1 (0.63) SLC6A3SLC6A2SLC6A4CYP17A1S1PR1
SCHEMBL54346 0.85 HTR2A (0.59) POLBLMNAHTR2AHRH1TDP1
Ammonia Solution, Strong SCHEMBL10389261 0.83 HTR2A (0.56) POLBLMNAHTR2AHRH1TDP1
SCHEMBL12506256 0.83 HTR2A (0.56) POLBLMNAHTR2AHRH1TDP1
Methane SCHEMBL28250836 0.83 HTR2A (0.56) POLBLMNAHTR2AHRH1TDP1
SCHEMBL29268835 0.83 HTR2A (0.56) POLBLMNAHTR2AHRH1TDP1
Ammonia Solution, Strong SCHEMBL5683105 0.83 HTR2A (0.56) POLBLMNAHTR2AHRH1TDP1
Phosphine SCHEMBL28948486 0.83 HTR2A (0.56) POLBLMNAHTR2AHRH1TDP1
SCHEMBL29173261 0.83 SLC6A2 (0.57) SLC6A3SLC6A2SLC6A4S1PR1ALDH1A1

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 296 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214445-B Binder based on benzyl ether type phenolic resin containing free phenol and free hydroxy benzyl alcohol ASK化学品股份有限公司 2024-10-11 CN claimed
EP-4251344-B1 METHOD OF PRODUCING MOLDS, CORE OR RISER HUETTENES ALBERTUS CHEMISCHE WERKE GMBH (DE) 2024-10-02 EP claimed
US-12037444-B2 Phenolic resin binder with reduced formaldehyde content ASK CHEMICALS GMBH (DE) 2024-07-16 US claimed
US-20240001433-A1 PRODUCTION METHOD, CASTING MOULDS, CORES OR FEEDERS AND KIT AND METHOD FOR PRODUCTION OF A METALLIC CASTING HÜTTENES-ALBERTUS Chemische Werke Gesellschaft mit beschränkter Haftung (DE) 2024-01-04 US claimed
US-11839913-B2 Binder systems IMERYS USA, INC. (US) 2023-12-12 US claimed
EP-4251344-A1 PRODUCTION METHOD, CASTING MOULDS, CORES OR FEEDERS AND KIT AND METHOD FOR PRODUCTION OF A METALLIC CASTING HÜTTENES-ALBERTUS Chemische Werke Gesellschaft mit beschränkter Haftung (DE) 2023-10-04 EP claimed
CN-116568425-A Method for producing a casting mould, core or riser, kit and method for producing a metal casting 胡坦斯·阿尔伯图斯化学厂有限公司 2023-08-08 CN claimed
US-11466117-B2 Binder based on phenolic resins of the benzyl ether type, containing free phenol and free hydroxybenzyl alcohols ASK CHEMICALS GMBH (DE) 2022-10-11 US claimed
CN-111566139-B Phenolic resin binder with reduced formaldehyde content ASK化学品股份有限公司 2022-07-08 CN claimed
WO-2022112515-A1 PRODUCTION METHOD, CASTING MOULDS, CORES OR FEEDERS AND KIT AND METHOD FOR PRODUCTION OF A METALLIC CASTING HÜTTENES-ALBERTUS Chemische Werke Gesellschaft mit beschränkter Haftung (DE) 2022-06-02 WO claimed
WO-2013030127-A1 PROCESS FOR PRODUCING A COATED FERTILIZER COMPRISING BORON EKOMPANY AGRO B.V. (NL) 2013-03-07 WO claimed
EP-2076574-B1 METHOD OF PRODUCING FLEXIBLE LAMINATES ASHLAND LICENSING & INTELLECTU (US) 2012-12-05 EP claimed
EP-2076574-A1 METHOD OF PRODUCING FLEXIBLE LAMINATES Ashland Licensing and Intellectual Property LLC (US) 2009-07-08 EP claimed
WO-2008052134-A1 METHOD OF PRODUCING FLEXIBLE LAMINATES ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2008-05-02 WO claimed
US-20080099141-A1 Method of producing flexible laminates ASHLAND INC. (US) 2008-05-01 US claimed
US-5948930-A Process for preparing O-alkyl, O-alkylphosphorochloridothioates BAYER CORPORATION (US) 1999-09-07 US claimed
US-5698613-A Chemical binder MANCUSO CHEMICALS LIMITED (CA) 1997-12-16 US claimed
EP-0811027-A1 CHEMICAL BINDER Mancuso Chemicals Limited (CA) 1997-12-10 EP claimed
WO-1996026231-A1 CHEMICAL BINDER MANCUSO CHEMICALS LIMITED (CA) 1996-08-29 WO claimed
US-4788083-A POLYURETHANES, POT LIFE ASHLAND OIL, INC. (US) 1988-11-29 US claimed