SCHEMBL28455281

SCHEMBL28455281

CCCCCCCCCCCc1ccc(C(C)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.70
THRB P10828 9/20 0.70
RARB P10826 5/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 1/20 0.67
RARA P10276 1/20 0.67
MAPT P10636 1/20 0.67
MTOR P42345 1/20 0.67
HSD17B10 Q99714 1/20 0.62
PLA2G1B P04054 3/20 0.61
ATG4B Q9Y4P1 3/20 0.61

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
SCHEMBL962497 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL12457863 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL28733046 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL965453 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL8383207 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL499485 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL9997622 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL4185050 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL965858 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL1133493 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 CN disclosed
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed
CN-115449262-A Marking composition 桑福德有限合伙人公司 2022-12-09 CN disclosed
CN-111263795-B Reversible thermal discoloration aqueous ink composition and writing instrument using the same 株式会社百乐 2022-05-03 CN disclosed
CN-113785023-A Water-based ink composition for reversible thermal discoloration writing instrument, refill containing the same, and water-based ballpoint pen 株式会社百乐 2021-12-10 CN disclosed
CN-113646052-A Reversible thermal discoloration composition, reversible thermal discoloration microcapsule pigment encapsulating the reversible thermal discoloration composition, and writing instrument using the reversible thermal discoloration microcapsule pigment 百乐墨水株式会社 2021-11-12 CN disclosed
CN-111263795-A Reversible thermal discoloration aqueous ink composition and writing instrument using the same 株式会社百乐 2020-06-09 CN disclosed