Benzaldehyde

Benzaldehyde

SCHEMBL3685947

Br.O=Cc1ccccc1

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Benzaldehyde. 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.

Compoundsimilaritytop predictedshared targets
Benzaldehyde SCHEMBL27774128 1.00 ALDH1A1 (0.93)
Benzaldehyde SCHEMBL27992087 0.97 ALDH1A1 (0.88)
Benzaldehyde SCHEMBL1330097 0.97
Benzaldehyde SCHEMBL22400699 0.97 ALDH1A1 (1.00)
Benzaldehyde SCHEMBL573 0.97
Benzaldehyde SCHEMBL6061133 0.97 ALDH1A1 (1.00)
Benzaldehyde SCHEMBL10051945 0.97
Benzaldehyde SCHEMBL896024 0.97 ALDH1A1 (1.00)
Benzaldehyde SCHEMBL9236967 0.97
Benzaldehyde SCHEMBL4798424 0.93 ALDH1A1 (0.93)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109762768-A Bacillus B8W22 and its application 浙江工业大学 2019-05-17 CN disclosed
US-20130004894-A1 UNDER COAT FILM MATERIAL AND METHOD OF FORMING MULTILAYER RESIST PATTERN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-01-03 US disclosed
EP-2535768-A1 UNDERLAYER FILM MATERIAL, AND METHOD FOR FORMATION OF MULTILAYER RESIST PATTERN Mitsubishi Gas Chemical Company, Inc. (JP) 2012-12-19 EP disclosed
US-8227095-B2 Organic compound and organic light emitting device containing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-07-24 US disclosed
US-20100148158-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-06-17 US disclosed
US-20090143421-A1 USE OF 2-BENZOYL-IMIDAZOPYRIDINES IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-06-04 US disclosed