Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28523947

NCc1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.47
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CXCR2 P25025 1/20 0.40
P4HTM Q9NXG6 1/20 0.39
GCK P35557 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL29442844 1.00 F10 (0.47) F10ALDH1A1MEN1KMT2ANPC1
SCHEMBL29357095 0.93 F10 (0.53) F10ALDH1A1MEN1KMT2ANPC1
SCHEMBL21394880 0.93 F10 (0.53) F10ALDH1A1MEN1KMT2ANPC1
SCHEMBL21394466 0.85 ALDH1A1 (0.48) F10ALDH1A1MEN1KMT2ANPC1
SCHEMBL29356935 0.85 ALDH1A1 (0.48) F10ALDH1A1MEN1KMT2ANPC1
SCHEMBL21394716 0.81 P4HTM (0.45) F10ALDH1A1MEN1KMT2ANPC1
SCHEMBL21394891 0.81 ALDH1A1 (0.47) F10ALDH1A1MEN1KMT2ANPC1
SCHEMBL29356665 0.81 ALDH1A1 (0.47) F10ALDH1A1MEN1KMT2ANPC1
SCHEMBL21395066 0.81 ALDH1A1 (0.47) F10ALDH1A1MEN1KMT2ANPC1
SCHEMBL21394657 0.79 ALDH1A1 (0.49) F10ALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed