SCHEMBL16930867

SCHEMBL16930867

C=CC(=C)C.C=CC(C)(C)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.40
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
FNTA P49354 10/20 0.34
FNTB P49356 8/20 0.34
PGGT1B P53609 6/20 0.34
FDPS P14324 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
Pyrophosphoric Acid SCHEMBL16011213 0.98 BTN3A1 (0.39) BTN3A1ALDH1A1TP53TSHRFNTA
SCHEMBL156446 0.91 BTN3A1 (0.38) BTN3A1FNTAFNTBPGGT1BFDPS
Pyrophosphoric Acid SCHEMBL3890468 0.89 FDPS (0.42) BTN3A1FNTAFNTBPGGT1BFDPS
Ammonia Solution, Strong SCHEMBL3690678 0.89 BTN3A1 (0.37) BTN3A1FNTAFNTBPGGT1BFDPS
Ammonia Solution, Strong SCHEMBL3690680 0.89 BTN3A1 (0.37) BTN3A1FNTAFNTBPGGT1BFDPS
SCHEMBL18486678 0.87 BTN3A1 (0.36) BTN3A1FNTAFNTBPGGT1BFDPS
SCHEMBL9901912 0.82 LMNA (0.31)
SCHEMBL21571326 0.80 BTN3A1 (0.47) BTN3A1FNTAFNTBPGGT1B
Isopentenylpyrophosphate SCHEMBL4367204 0.80 BTN3A1 (0.71) BTN3A1FNTAFNTBPGGT1B
Isopentenylpyrophosphate SCHEMBL2832837 0.80 BTN3A1 (0.71) BTN3A1FNTAFNTBPGGT1B

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
EP-2885420-B1 INCREASED PRODUCTION OF TERPENES AND TERPENOIDS EVOLVA SA (CH) 2018-12-05 EP disclosed
US-20150240264-A1 METHODS FOR CO-PRODUCTION OF A TERPENE, SUCCINATE AND HYDROGEN BRASKEM SA (BR) 2015-08-27 US disclosed
US-20150211024-A1 METHODS FOR PRODUCTION OF A TERPENE AND A CO-PRODUCT BRASKEM S.A. (BR) 2015-07-30 US disclosed