Sugi Predict

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Formic Acid

Formic Acid

SCHEMBL30994672

O=CO.Oc1cc(C(F)(F)F)ccc1-c1nnc(NC[C@@H]2CCCN2)c2cnccc12

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 8/20 0.44
▸ NLRP3 Q96P20 7/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ IDO1 P14902 3/20 0.40
▸ TDO2 P48775 3/20 0.40
▸ SCN9A Q15858 3/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ TNF P01375 1/20 0.34

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
SCHEMBL30213908 0.96 IL1B (0.47) IL1BNLRP3KCNH2IDO1TDO2
SCHEMBL30214191 0.92 IL1B (0.47) IL1BNLRP3KCNH2IDO1TDO2
SCHEMBL30214149 0.87 IDO1 (0.39) IL1BNLRP3IDO1TDO2SCN9A
SCHEMBL29131969 0.85 IL1B (0.49) IL1BNLRP3KCNH2IDO1TDO2
SCHEMBL29131967 0.85 IL1B (0.49) IL1BNLRP3KCNH2IDO1TDO2
SCHEMBL30214131 0.84 IDO1 (0.39) IL1BNLRP3KCNH2IDO1TDO2
SCHEMBL27356476 0.82 NLRP3 (0.47) IL1BNLRP3KCNH2TNF
SCHEMBL31043339 0.82 NLRP3 (0.41) IL1BNLRP3KCNH2TNF
SCHEMBL31043247 0.82 NLRP3 (0.41) IL1BNLRP3KCNH2TNF
SCHEMBL31043240 0.82 NLRP3 (0.41) IL1BNLRP3KCNH2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 — — CN claimed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 — — CN disclosed