SCHEMBL97811

SCHEMBL97811

N#CCCSSCCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL10107013 0.82 TSHR (0.62) TSHRMEN1KMT2ALMNACYP1A2
SCHEMBL97780 0.81 TSHR (0.56) MCL1TSHRMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL180144 0.78 TSHR (0.53) TSHRMEN1KMT2ALMNACYP1A2
Hydrochloric Acid SCHEMBL1844352 0.78 TSHR (0.53) TSHRMEN1KMT2ALMNACYP1A2
SCHEMBL1033676 0.76
Succinamide SCHEMBL10421239 0.76 MCL1 (0.52) MCL1TSHRMEN1KMT2ALMNA
SCHEMBL97778 0.75 ALDH1A1 (0.50) MCL1TSHRALDH1A1
SCHEMBL163253 0.74 TSHR (0.72) TSHRKMT2ALMNACYP1A2
SCHEMBL5067235 0.74 TSHR (0.48) TSHRMEN1KMT2ALMNACYP1A2
SCHEMBL3106710 0.74

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
US-8637277-B2 Method for producing 3-mercaptopropionic acid or salt thereof MITSUI CHEMICALS, INC. (JP) 2014-01-28 US disclosed
US-8637277-B2 Method for producing 3-mercaptopropionic acid or salt thereof MITSUI CHEMICALS, INC. (JP) 2014-01-28 US disclosed
US-8637277-B2 Method for producing 3-mercaptopropionic acid or salt thereof MITSUI CHEMICALS, INC. (JP) 2014-01-28 US disclosed
EP-2426210-A1 PROCESS FOR PRODUCTION OF 3-MERCAPTOPROPIONIC ACID OR SALT THEREOF Mitsui Chemicals, Inc. (JP) 2012-03-07 EP disclosed
US-20120040418-A1 METHOD FOR PRODUCING 3-MERCAPTOPROPIONIC ACID OR SALT THEREOF MITSUI CHEMICALS INC. (JP) 2012-02-16 US disclosed
US-20120040418-A1 METHOD FOR PRODUCING 3-MERCAPTOPROPIONIC ACID OR SALT THEREOF MITSUI CHEMICALS INC. (JP) 2012-02-16 US disclosed