SCHEMBL21066503

SCHEMBL21066503

CCCCCCCCCNS

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.58
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.56
THRB P10828 1/20 0.53
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH4 P08319 1/20 0.50
ADH7 P40394 1/20 0.50
PPARA Q07869 2/20 0.44
GBA1 P04062 4/20 0.42
CASP2 P42575 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL11555094 1.00
SCHEMBL5729119 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL18019067 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL21826470 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL3793032 1.00
SCHEMBL4267717 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL2880657 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL21825580 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL21826213 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
Hydrochloric Acid SCHEMBL3217461 0.97 EPHX1 (0.55) EPHX1TSHRALDH1A1THRBADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194471-A1 Method for Preparing Self-dispersing Nano Carbon Black Based on a Thiol-ene Click Reaction JIANGNAN UNIVERSITY (CN) 2019-06-27 US claimed
US-10975245-B2 Method for preparing self-dispersing nano carbon black based on a thiol-ene click reaction JIANGNAN UNIVERSITY (CN) 2021-04-13 US disclosed
US-20190194471-A1 Method for Preparing Self-dispersing Nano Carbon Black Based on a Thiol-ene Click Reaction JIANGNAN UNIVERSITY (CN) 2019-06-27 US disclosed