SCHEMBL28536005

SCHEMBL28536005

C=C(C)C(=O)OC(CCC)NC(=O)CC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 3/20 0.35
THRB P10828 1/20 0.33

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
SCHEMBL27776278 0.81 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL7164166 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL20530421 0.79 TSHR (0.40) ALDH1A1TSHRTHRB
SCHEMBL2531720 0.77 TSHR (0.41) ALDH1A1TSHRTHRB
SCHEMBL27373947 0.75 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL272305 0.73 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL11863394 0.72 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL142824 0.72 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL9421251 0.72 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL7164413 0.71 TSHR (0.43) ALDH1A1TSHRTHRB

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
CN-114555667-B Two-component polyurethane compositions 陶氏环球技术有限责任公司 2024-07-30 CN disclosed
CN-114207059-B Two-component polyurethane compositions 陶氏环球技术有限责任公司 2023-11-07 CN disclosed
CN-112585226-B Two-component polyurethane composition 陶氏环球技术有限责任公司 2022-11-11 CN disclosed
CN-114555667-A Two-component polyurethane composition 陶氏环球技术有限责任公司 2022-05-27 CN disclosed
CN-114207059-A Two-component polyurethane composition 陶氏环球技术有限责任公司 2022-03-18 CN disclosed
CN-112585226-A Two-component polyurethane composition 陶氏环球技术有限责任公司 2021-03-30 CN disclosed