Formaldehyde

Formaldehyde

SCHEMBL459554

C=O.CC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.61
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
NOTUM Q6P988 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CA5A P35218 1/20 0.43
P2RX1 P51575 2/20 0.42
HIF1A Q16665 1/20 0.41
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TACR1 P25103 1/20 0.41
CES1 P23141 1/20 0.40

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
SCHEMBL96116 0.96 CES2 (0.67) CES2RXRARXRBRXRGAKR1C3
SCHEMBL12187542 0.88 CES2 (0.57) CES2RXRARXRBRXRGAKR1C3
SCHEMBL27186725 0.86 CES2 (0.55) CES2RXRARXRBRXRGAKR1C3
SCHEMBL29799797 0.86 CES2 (0.55) CES2RXRARXRBRXRGAKR1C3
SCHEMBL1198922 0.83 CES2 (0.52) CES2RXRARXRBRXRGAKR1C3
SCHEMBL31643321 0.83 CA5A (0.61) CES2RXRARXRBRXRGAKR1C3
SCHEMBL7786247 0.83 CES2 (0.52) CES2RXRARXRBRXRGAKR1C3
SCHEMBL13131605 0.83 CA5A (0.61) CES2RXRARXRBRXRGAKR1C3
SCHEMBL4974165 0.82 CES2 (0.50) CES2RXRARXRBRXRGAKR1C3
SCHEMBL766077 0.82 NOTUM (0.67) CES2RXRARXRBRXRGAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062085-B2 Biaryl diphosphine ligands, intermediates of the same and their use in asymmetric catalysis KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2015-06-23 US disclosed
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-07-18 US disclosed
EP-2614069-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS Kanata Chemical Technologies Inc. (CA) 2013-07-17 EP disclosed
WO-2012031358-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS AGPS, COASY, BLVRB CES2 1738/4885RXRA 3463/4885RXRB 2171/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.